----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:17:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.373866010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.461906390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.094970379999998 Atomic positions (fractional): *1 O 0.93053660714568 0.25000000000000 0.92494043610597 15.999 2 O 0.06946339285432 0.75000000000000 0.07505956389403 15.999 3 O 0.43053660714568 0.25000000000000 0.57505956389403 15.999 4 O 0.56946339285432 0.75000000000000 0.42494043610597 15.999 *5 O 0.01748624387387 0.25000000000000 0.28250226101694 15.999 6 O 0.98251375612613 0.75000000000000 0.71749773898306 15.999 7 O 0.51748624387387 0.25000000000000 0.21749773898306 15.999 8 O 0.48251375612613 0.75000000000000 0.78250226101694 15.999 *9 O 0.61696491119282 0.25000000000000 0.98234085194070 15.999 10 O 0.38303508880718 0.75000000000000 0.01765914805930 15.999 11 O 0.11696491119282 0.25000000000000 0.51765914805930 15.999 12 O 0.88303508880718 0.75000000000000 0.48234085194070 15.999 *13 O 0.78954572828807 0.75000000000000 0.16139184744538 15.999 14 O 0.21045427171193 0.25000000000000 0.83860815255462 15.999 15 O 0.28954572828807 0.75000000000000 0.33860815255462 15.999 16 O 0.71045427171193 0.25000000000000 0.66139184744538 15.999 *17 Ba 0.24767652413402 0.75000000000000 0.64927641439175 137.327 18 Ba 0.75232347586598 0.25000000000000 0.35072358560825 137.327 19 Ba 0.74767652413402 0.75000000000000 0.85072358560825 137.327 20 Ba 0.25232347586598 0.25000000000000 0.14927641439175 137.327 *21 Tb 0.92423269181871 0.25000000000000 0.11071196251369 158.925 22 Tb 0.07576730818129 0.75000000000000 0.88928803748631 158.925 23 Tb 0.42423269181871 0.25000000000000 0.38928803748631 158.925 24 Tb 0.57576730818129 0.75000000000000 0.61071196251369 158.925 *25 Tb 0.57697517460978 0.75000000000000 0.10978189726890 158.925 26 Tb 0.42302482539022 0.25000000000000 0.89021810273110 158.925 27 Tb 0.07697517460978 0.75000000000000 0.39021810273110 158.925 28 Tb 0.92302482539022 0.25000000000000 0.60978189726890 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.373866010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.461906390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.094970379999998 Atomic positions (fractional): *1 O 0.93053660714568 0.25000000000000 0.92494043610597 15.999 > 1 2 O 0.06946339285432 0.75000000000000 0.07505956389403 15.999 > 2 3 O 0.43053660714568 0.25000000000000 0.57505956389403 15.999 > 3 4 O 0.56946339285432 0.75000000000000 0.42494043610597 15.999 > 4 *5 O 0.01748624387387 0.25000000000000 0.28250226101694 15.999 > 5 6 O 0.98251375612613 0.75000000000000 0.71749773898306 15.999 > 6 7 O 0.51748624387387 0.25000000000000 0.21749773898306 15.999 > 7 8 O 0.48251375612613 0.75000000000000 0.78250226101694 15.999 > 8 *9 O 0.61696491119282 0.25000000000000 0.98234085194070 15.999 > 9 10 O 0.38303508880718 0.75000000000000 0.01765914805930 15.999 > 10 11 O 0.11696491119282 0.25000000000000 0.51765914805930 15.999 > 11 12 O 0.88303508880718 0.75000000000000 0.48234085194070 15.999 > 12 *13 O 0.78954572828807 0.75000000000000 0.16139184744538 15.999 > 13 14 O 0.21045427171193 0.25000000000000 0.83860815255462 15.999 > 14 15 O 0.28954572828807 0.75000000000000 0.33860815255462 15.999 > 15 16 O 0.71045427171193 0.25000000000000 0.66139184744538 15.999 > 16 *17 Ba 0.24767652413402 0.75000000000000 0.64927641439175 137.327 > 17 18 Ba 0.75232347586598 0.25000000000000 0.35072358560825 137.327 > 18 19 Ba 0.74767652413402 0.75000000000000 0.85072358560825 137.327 > 19 20 Ba 0.25232347586598 0.25000000000000 0.14927641439175 137.327 > 20 *21 Tb 0.92423269181871 0.25000000000000 0.11071196251369 158.925 > 21 22 Tb 0.07576730818129 0.75000000000000 0.88928803748631 158.925 > 22 23 Tb 0.42423269181871 0.25000000000000 0.38928803748631 158.925 > 23 24 Tb 0.57576730818129 0.75000000000000 0.61071196251369 158.925 > 24 *25 Tb 0.57697517460978 0.75000000000000 0.10978189726890 158.925 > 25 26 Tb 0.42302482539022 0.25000000000000 0.89021810273110 158.925 > 26 27 Tb 0.07697517460978 0.75000000000000 0.39021810273110 158.925 > 27 28 Tb 0.92302482539022 0.25000000000000 0.60978189726890 158.925 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.373866010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.385719170000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.094970379999998 Atomic positions (fractional): *1 O 0.93053660714568 0.08333333333333 0.92494043610597 15.999 > 1 2 O 0.93053660714568 0.41666666666667 0.92494043610597 15.999 > 1 3 O 0.93053660714568 0.75000000000000 0.92494043610597 15.999 > 1 4 O 0.06946339285432 0.25000000000000 0.07505956389403 15.999 > 2 5 O 0.06946339285432 0.58333333333333 0.07505956389403 15.999 > 2 6 O 0.06946339285432 0.91666666666667 0.07505956389403 15.999 > 2 7 O 0.43053660714568 0.08333333333333 0.57505956389403 15.999 > 3 8 O 0.43053660714568 0.41666666666667 0.57505956389403 15.999 > 3 9 O 0.43053660714568 0.75000000000000 0.57505956389403 15.999 > 3 10 O 0.56946339285432 0.25000000000000 0.42494043610597 15.999 > 4 11 O 0.56946339285432 0.58333333333333 0.42494043610597 15.999 > 4 12 O 0.56946339285432 0.91666666666667 0.42494043610597 15.999 > 4 *13 O 0.01748624387387 0.08333333333333 0.28250226101694 15.999 > 5 14 O 0.01748624387387 0.41666666666667 0.28250226101694 15.999 > 5 15 O 0.01748624387387 0.75000000000000 0.28250226101694 15.999 > 5 16 O 0.98251375612613 0.25000000000000 0.71749773898306 15.999 > 6 17 O 0.98251375612613 0.58333333333333 0.71749773898306 15.999 > 6 18 O 0.98251375612613 0.91666666666667 0.71749773898306 15.999 > 6 19 O 0.51748624387387 0.08333333333333 0.21749773898306 15.999 > 7 20 O 0.51748624387387 0.41666666666667 0.21749773898306 15.999 > 7 21 O 0.51748624387387 0.75000000000000 0.21749773898306 15.999 > 7 22 O 0.48251375612613 0.25000000000000 0.78250226101694 15.999 > 8 23 O 0.48251375612613 0.58333333333333 0.78250226101694 15.999 > 8 24 O 0.48251375612613 0.91666666666667 0.78250226101694 15.999 > 8 *25 O 0.61696491119282 0.08333333333333 0.98234085194070 15.999 > 9 26 O 0.61696491119282 0.41666666666667 0.98234085194070 15.999 > 9 27 O 0.61696491119282 0.75000000000000 0.98234085194070 15.999 > 9 28 O 0.38303508880718 0.25000000000000 0.01765914805930 15.999 > 10 29 O 0.38303508880718 0.58333333333333 0.01765914805930 15.999 > 10 30 O 0.38303508880718 0.91666666666667 0.01765914805930 15.999 > 10 31 O 0.11696491119282 0.08333333333333 0.51765914805930 15.999 > 11 32 O 0.11696491119282 0.41666666666667 0.51765914805930 15.999 > 11 33 O 0.11696491119282 0.75000000000000 0.51765914805930 15.999 > 11 34 O 0.88303508880718 0.25000000000000 0.48234085194070 15.999 > 12 35 O 0.88303508880718 0.58333333333333 0.48234085194070 15.999 > 12 36 O 0.88303508880718 0.91666666666667 0.48234085194070 15.999 > 12 *37 O 0.78954572828807 0.25000000000000 0.16139184744538 15.999 > 13 38 O 0.78954572828807 0.58333333333333 0.16139184744538 15.999 > 13 39 O 0.78954572828807 0.91666666666667 0.16139184744538 15.999 > 13 40 O 0.21045427171193 0.08333333333333 0.83860815255462 15.999 > 14 41 O 0.21045427171193 0.41666666666667 0.83860815255462 15.999 > 14 42 O 0.21045427171193 0.75000000000000 0.83860815255462 15.999 > 14 43 O 0.28954572828807 0.25000000000000 0.33860815255462 15.999 > 15 44 O 0.28954572828807 0.58333333333333 0.33860815255462 15.999 > 15 45 O 0.28954572828807 0.91666666666667 0.33860815255462 15.999 > 15 46 O 0.71045427171193 0.08333333333333 0.66139184744538 15.999 > 16 47 O 0.71045427171193 0.41666666666667 0.66139184744538 15.999 > 16 48 O 0.71045427171193 0.75000000000000 0.66139184744538 15.999 > 16 *49 Ba 0.24767652413402 0.25000000000000 0.64927641439175 137.327 > 17 50 Ba 0.24767652413402 0.58333333333333 0.64927641439175 137.327 > 17 51 Ba 0.24767652413402 0.91666666666667 0.64927641439175 137.327 > 17 52 Ba 0.75232347586598 0.08333333333333 0.35072358560825 137.327 > 18 53 Ba 0.75232347586598 0.41666666666667 0.35072358560825 137.327 > 18 54 Ba 0.75232347586598 0.75000000000000 0.35072358560825 137.327 > 18 55 Ba 0.74767652413402 0.25000000000000 0.85072358560825 137.327 > 19 56 Ba 0.74767652413402 0.58333333333333 0.85072358560825 137.327 > 19 57 Ba 0.74767652413402 0.91666666666667 0.85072358560825 137.327 > 19 58 Ba 0.25232347586598 0.08333333333333 0.14927641439175 137.327 > 20 59 Ba 0.25232347586598 0.41666666666667 0.14927641439175 137.327 > 20 60 Ba 0.25232347586598 0.75000000000000 0.14927641439175 137.327 > 20 *61 Tb 0.92423269181871 0.08333333333333 0.11071196251369 158.925 > 21 62 Tb 0.92423269181871 0.41666666666667 0.11071196251369 158.925 > 21 63 Tb 0.92423269181871 0.75000000000000 0.11071196251369 158.925 > 21 64 Tb 0.07576730818129 0.25000000000000 0.88928803748631 158.925 > 22 65 Tb 0.07576730818129 0.58333333333333 0.88928803748631 158.925 > 22 66 Tb 0.07576730818129 0.91666666666667 0.88928803748631 158.925 > 22 67 Tb 0.42423269181871 0.08333333333333 0.38928803748631 158.925 > 23 68 Tb 0.42423269181871 0.41666666666667 0.38928803748631 158.925 > 23 69 Tb 0.42423269181871 0.75000000000000 0.38928803748631 158.925 > 23 70 Tb 0.57576730818129 0.25000000000000 0.61071196251369 158.925 > 24 71 Tb 0.57576730818129 0.58333333333333 0.61071196251369 158.925 > 24 72 Tb 0.57576730818129 0.91666666666667 0.61071196251369 158.925 > 24 *73 Tb 0.57697517460978 0.25000000000000 0.10978189726890 158.925 > 25 74 Tb 0.57697517460978 0.58333333333333 0.10978189726890 158.925 > 25 75 Tb 0.57697517460978 0.91666666666667 0.10978189726890 158.925 > 25 76 Tb 0.42302482539022 0.08333333333333 0.89021810273110 158.925 > 26 77 Tb 0.42302482539022 0.41666666666667 0.89021810273110 158.925 > 26 78 Tb 0.42302482539022 0.75000000000000 0.89021810273110 158.925 > 26 79 Tb 0.07697517460978 0.25000000000000 0.39021810273110 158.925 > 27 80 Tb 0.07697517460978 0.58333333333333 0.39021810273110 158.925 > 27 81 Tb 0.07697517460978 0.91666666666667 0.39021810273110 158.925 > 27 82 Tb 0.92302482539022 0.08333333333333 0.60978189726890 158.925 > 28 83 Tb 0.92302482539022 0.41666666666667 0.60978189726890 158.925 > 28 84 Tb 0.92302482539022 0.75000000000000 0.60978189726890 158.925 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4079602 0.0000000 0.0000000 0.0000000 4.5671859 0.0000000 0.0000000 0.0000000 4.4439957 -------------------------- Born effective charges -------------------------- 1 O -2.5115647 0.0000000 -0.1200390 0.0000000 -2.7943297 0.0000000 0.0490275 0.0000000 -2.5405855 2 O -2.5115647 0.0000000 -0.1200390 0.0000000 -2.7943297 0.0000000 0.0490275 0.0000000 -2.5405855 3 O -2.5115647 0.0000000 0.1200390 0.0000000 -2.7943297 0.0000000 -0.0490275 0.0000000 -2.5405855 4 O -2.5115647 0.0000000 0.1200390 0.0000000 -2.7943297 0.0000000 -0.0490275 0.0000000 -2.5405855 5 O -2.1598515 0.0000000 -0.3170875 0.0000000 -2.5814029 0.0000000 -0.4597987 0.0000000 -3.0644273 6 O -2.1598515 0.0000000 -0.3170875 0.0000000 -2.5814029 0.0000000 -0.4597987 0.0000000 -3.0644273 7 O -2.1598515 0.0000000 0.3170875 0.0000000 -2.5814029 0.0000000 0.4597987 0.0000000 -3.0644273 8 O -2.1598515 0.0000000 0.3170875 0.0000000 -2.5814029 0.0000000 0.4597987 0.0000000 -3.0644273 9 O -2.4408056 0.0000000 0.0937311 0.0000000 -2.7693773 0.0000000 0.0976530 0.0000000 -2.5775962 10 O -2.4408056 0.0000000 0.0937311 0.0000000 -2.7693773 0.0000000 0.0976530 0.0000000 -2.5775962 11 O -2.4408056 0.0000000 -0.0937311 0.0000000 -2.7693773 0.0000000 -0.0976530 0.0000000 -2.5775962 12 O -2.4408056 0.0000000 -0.0937311 0.0000000 -2.7693773 0.0000000 -0.0976530 0.0000000 -2.5775962 13 O -2.9829081 0.0000000 0.0872363 0.0000000 -2.7582515 0.0000000 0.0799569 0.0000000 -2.1038156 14 O -2.9829081 0.0000000 0.0872363 0.0000000 -2.7582515 0.0000000 0.0799569 0.0000000 -2.1038156 15 O -2.9829081 0.0000000 -0.0872363 0.0000000 -2.7582515 0.0000000 -0.0799569 0.0000000 -2.1038156 16 O -2.9829081 0.0000000 -0.0872363 0.0000000 -2.7582515 0.0000000 -0.0799569 0.0000000 -2.1038156 17 Ba 2.8783318 0.0000000 0.1031328 0.0000000 2.5395412 0.0000000 0.0754494 0.0000000 2.5888073 18 Ba 2.8783318 0.0000000 0.1031328 0.0000000 2.5395412 0.0000000 0.0754494 0.0000000 2.5888073 19 Ba 2.8783318 0.0000000 -0.1031328 0.0000000 2.5395412 0.0000000 -0.0754494 0.0000000 2.5888073 20 Ba 2.8783318 0.0000000 -0.1031328 0.0000000 2.5395412 0.0000000 -0.0754494 0.0000000 2.5888073 21 Tb 3.5706901 0.0000000 -0.1627999 0.0000000 4.1000881 0.0000000 -0.1437436 0.0000000 4.0511515 22 Tb 3.5706901 0.0000000 -0.1627999 0.0000000 4.1000881 0.0000000 -0.1437436 0.0000000 4.0511515 23 Tb 3.5706901 0.0000000 0.1627999 0.0000000 4.1000881 0.0000000 0.1437436 0.0000000 4.0511515 24 Tb 3.5706901 0.0000000 0.1627999 0.0000000 4.1000881 0.0000000 0.1437436 0.0000000 4.0511515 25 Tb 3.6461080 0.0000000 0.2354369 0.0000000 4.2637320 0.0000000 0.1518867 0.0000000 3.6464657 26 Tb 3.6461080 0.0000000 0.2354369 0.0000000 4.2637320 0.0000000 0.1518867 0.0000000 3.6464657 27 Tb 3.6461080 0.0000000 -0.2354369 0.0000000 4.2637320 0.0000000 -0.1518867 0.0000000 3.6464657 28 Tb 3.6461080 0.0000000 -0.2354369 0.0000000 4.2637320 0.0000000 -0.1518867 0.0000000 3.6464657 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.442 Solver_block: 200 / 480 - Time: 1.418 Solver_block: 300 / 480 - Time: 1.414 Solver_block: 400 / 480 - Time: 1.417 Solver_block: 480 / 480 - Time: 1.169 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.894 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:17:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:17:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.373866010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.461906390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.094970379999998 Atomic positions (fractional): 1 O 0.93053660714568 0.25000000000000 0.92494043610597 15.999 2 O 0.06946339285432 0.75000000000000 0.07505956389403 15.999 3 O 0.43053660714568 0.25000000000000 0.57505956389403 15.999 4 O 0.56946339285432 0.75000000000000 0.42494043610597 15.999 5 O 0.01748624387387 0.25000000000000 0.28250226101694 15.999 6 O 0.98251375612613 0.75000000000000 0.71749773898306 15.999 7 O 0.51748624387387 0.25000000000000 0.21749773898306 15.999 8 O 0.48251375612613 0.75000000000000 0.78250226101694 15.999 9 O 0.61696491119282 0.25000000000000 0.98234085194070 15.999 10 O 0.38303508880718 0.75000000000000 0.01765914805930 15.999 11 O 0.11696491119282 0.25000000000000 0.51765914805930 15.999 12 O 0.88303508880718 0.75000000000000 0.48234085194070 15.999 13 O 0.78954572828807 0.75000000000000 0.16139184744538 15.999 14 O 0.21045427171193 0.25000000000000 0.83860815255462 15.999 15 O 0.28954572828807 0.75000000000000 0.33860815255462 15.999 16 O 0.71045427171193 0.25000000000000 0.66139184744538 15.999 17 Ba 0.24767652413402 0.75000000000000 0.64927641439175 137.327 18 Ba 0.75232347586598 0.25000000000000 0.35072358560825 137.327 19 Ba 0.74767652413402 0.75000000000000 0.85072358560825 137.327 20 Ba 0.25232347586598 0.25000000000000 0.14927641439175 137.327 21 Tb 0.92423269181871 0.25000000000000 0.11071196251369 158.925 22 Tb 0.07576730818129 0.75000000000000 0.88928803748631 158.925 23 Tb 0.42423269181871 0.25000000000000 0.38928803748631 158.925 24 Tb 0.57576730818129 0.75000000000000 0.61071196251369 158.925 25 Tb 0.57697517460978 0.75000000000000 0.10978189726890 158.925 26 Tb 0.42302482539022 0.25000000000000 0.89021810273110 158.925 27 Tb 0.07697517460978 0.75000000000000 0.39021810273110 158.925 28 Tb 0.92302482539022 0.25000000000000 0.60978189726890 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.373866010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.385719170000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.094970379999998 Atomic positions (fractional): 1 O 0.93053660714568 0.08333333333333 0.92494043610597 15.999 > 1 2 O 0.93053660714568 0.41666666666667 0.92494043610597 15.999 > 1 3 O 0.93053660714568 0.75000000000000 0.92494043610597 15.999 > 1 4 O 0.06946339285432 0.25000000000000 0.07505956389403 15.999 > 4 5 O 0.06946339285432 0.58333333333333 0.07505956389403 15.999 > 4 6 O 0.06946339285432 0.91666666666667 0.07505956389403 15.999 > 4 7 O 0.43053660714568 0.08333333333333 0.57505956389403 15.999 > 7 8 O 0.43053660714568 0.41666666666667 0.57505956389403 15.999 > 7 9 O 0.43053660714568 0.75000000000000 0.57505956389403 15.999 > 7 10 O 0.56946339285432 0.25000000000000 0.42494043610597 15.999 > 10 11 O 0.56946339285432 0.58333333333333 0.42494043610597 15.999 > 10 12 O 0.56946339285432 0.91666666666667 0.42494043610597 15.999 > 10 13 O 0.01748624387387 0.08333333333333 0.28250226101694 15.999 > 13 14 O 0.01748624387387 0.41666666666667 0.28250226101694 15.999 > 13 15 O 0.01748624387387 0.75000000000000 0.28250226101694 15.999 > 13 16 O 0.98251375612613 0.25000000000000 0.71749773898306 15.999 > 16 17 O 0.98251375612613 0.58333333333333 0.71749773898306 15.999 > 16 18 O 0.98251375612613 0.91666666666667 0.71749773898306 15.999 > 16 19 O 0.51748624387387 0.08333333333333 0.21749773898306 15.999 > 19 20 O 0.51748624387387 0.41666666666667 0.21749773898306 15.999 > 19 21 O 0.51748624387387 0.75000000000000 0.21749773898306 15.999 > 19 22 O 0.48251375612613 0.25000000000000 0.78250226101694 15.999 > 22 23 O 0.48251375612613 0.58333333333333 0.78250226101694 15.999 > 22 24 O 0.48251375612613 0.91666666666667 0.78250226101694 15.999 > 22 25 O 0.61696491119282 0.08333333333333 0.98234085194070 15.999 > 25 26 O 0.61696491119282 0.41666666666667 0.98234085194070 15.999 > 25 27 O 0.61696491119282 0.75000000000000 0.98234085194070 15.999 > 25 28 O 0.38303508880718 0.25000000000000 0.01765914805930 15.999 > 28 29 O 0.38303508880718 0.58333333333333 0.01765914805930 15.999 > 28 30 O 0.38303508880718 0.91666666666667 0.01765914805930 15.999 > 28 31 O 0.11696491119282 0.08333333333333 0.51765914805930 15.999 > 31 32 O 0.11696491119282 0.41666666666667 0.51765914805930 15.999 > 31 33 O 0.11696491119282 0.75000000000000 0.51765914805930 15.999 > 31 34 O 0.88303508880718 0.25000000000000 0.48234085194070 15.999 > 34 35 O 0.88303508880718 0.58333333333333 0.48234085194070 15.999 > 34 36 O 0.88303508880718 0.91666666666667 0.48234085194070 15.999 > 34 37 O 0.78954572828807 0.25000000000000 0.16139184744538 15.999 > 37 38 O 0.78954572828807 0.58333333333333 0.16139184744538 15.999 > 37 39 O 0.78954572828807 0.91666666666667 0.16139184744538 15.999 > 37 40 O 0.21045427171193 0.08333333333333 0.83860815255462 15.999 > 40 41 O 0.21045427171193 0.41666666666667 0.83860815255462 15.999 > 40 42 O 0.21045427171193 0.75000000000000 0.83860815255462 15.999 > 40 43 O 0.28954572828807 0.25000000000000 0.33860815255462 15.999 > 43 44 O 0.28954572828807 0.58333333333333 0.33860815255462 15.999 > 43 45 O 0.28954572828807 0.91666666666667 0.33860815255462 15.999 > 43 46 O 0.71045427171193 0.08333333333333 0.66139184744538 15.999 > 46 47 O 0.71045427171193 0.41666666666667 0.66139184744538 15.999 > 46 48 O 0.71045427171193 0.75000000000000 0.66139184744538 15.999 > 46 49 Ba 0.24767652413402 0.25000000000000 0.64927641439175 137.327 > 49 50 Ba 0.24767652413402 0.58333333333333 0.64927641439175 137.327 > 49 51 Ba 0.24767652413402 0.91666666666667 0.64927641439175 137.327 > 49 52 Ba 0.75232347586598 0.08333333333333 0.35072358560825 137.327 > 52 53 Ba 0.75232347586598 0.41666666666667 0.35072358560825 137.327 > 52 54 Ba 0.75232347586598 0.75000000000000 0.35072358560825 137.327 > 52 55 Ba 0.74767652413402 0.25000000000000 0.85072358560825 137.327 > 55 56 Ba 0.74767652413402 0.58333333333333 0.85072358560825 137.327 > 55 57 Ba 0.74767652413402 0.91666666666667 0.85072358560825 137.327 > 55 58 Ba 0.25232347586598 0.08333333333333 0.14927641439175 137.327 > 58 59 Ba 0.25232347586598 0.41666666666667 0.14927641439175 137.327 > 58 60 Ba 0.25232347586598 0.75000000000000 0.14927641439175 137.327 > 58 61 Tb 0.92423269181871 0.08333333333333 0.11071196251369 158.925 > 61 62 Tb 0.92423269181871 0.41666666666667 0.11071196251369 158.925 > 61 63 Tb 0.92423269181871 0.75000000000000 0.11071196251369 158.925 > 61 64 Tb 0.07576730818129 0.25000000000000 0.88928803748631 158.925 > 64 65 Tb 0.07576730818129 0.58333333333333 0.88928803748631 158.925 > 64 66 Tb 0.07576730818129 0.91666666666667 0.88928803748631 158.925 > 64 67 Tb 0.42423269181871 0.08333333333333 0.38928803748631 158.925 > 67 68 Tb 0.42423269181871 0.41666666666667 0.38928803748631 158.925 > 67 69 Tb 0.42423269181871 0.75000000000000 0.38928803748631 158.925 > 67 70 Tb 0.57576730818129 0.25000000000000 0.61071196251369 158.925 > 70 71 Tb 0.57576730818129 0.58333333333333 0.61071196251369 158.925 > 70 72 Tb 0.57576730818129 0.91666666666667 0.61071196251369 158.925 > 70 73 Tb 0.57697517460978 0.25000000000000 0.10978189726890 158.925 > 73 74 Tb 0.57697517460978 0.58333333333333 0.10978189726890 158.925 > 73 75 Tb 0.57697517460978 0.91666666666667 0.10978189726890 158.925 > 73 76 Tb 0.42302482539022 0.08333333333333 0.89021810273110 158.925 > 76 77 Tb 0.42302482539022 0.41666666666667 0.89021810273110 158.925 > 76 78 Tb 0.42302482539022 0.75000000000000 0.89021810273110 158.925 > 76 79 Tb 0.07697517460978 0.25000000000000 0.39021810273110 158.925 > 79 80 Tb 0.07697517460978 0.58333333333333 0.39021810273110 158.925 > 79 81 Tb 0.07697517460978 0.91666666666667 0.39021810273110 158.925 > 79 82 Tb 0.92302482539022 0.08333333333333 0.60978189726890 158.925 > 82 83 Tb 0.92302482539022 0.41666666666667 0.60978189726890 158.925 > 82 84 Tb 0.92302482539022 0.75000000000000 0.60978189726890 158.925 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4079602 0.0000000 0.0000000 0.0000000 4.5671859 0.0000000 0.0000000 0.0000000 4.4439957 -------------------------- Born effective charges -------------------------- 1 O -2.5115647 0.0000000 -0.1200390 0.0000000 -2.7943297 0.0000000 0.0490275 0.0000000 -2.5405855 2 O -2.5115647 0.0000000 -0.1200390 0.0000000 -2.7943297 0.0000000 0.0490275 0.0000000 -2.5405855 3 O -2.5115647 0.0000000 0.1200390 0.0000000 -2.7943297 0.0000000 -0.0490275 0.0000000 -2.5405855 4 O -2.5115647 0.0000000 0.1200390 0.0000000 -2.7943297 0.0000000 -0.0490275 0.0000000 -2.5405855 5 O -2.1598515 0.0000000 -0.3170875 0.0000000 -2.5814029 0.0000000 -0.4597987 0.0000000 -3.0644273 6 O -2.1598515 0.0000000 -0.3170875 0.0000000 -2.5814029 0.0000000 -0.4597987 0.0000000 -3.0644273 7 O -2.1598515 0.0000000 0.3170875 0.0000000 -2.5814029 0.0000000 0.4597987 0.0000000 -3.0644273 8 O -2.1598515 0.0000000 0.3170875 0.0000000 -2.5814029 0.0000000 0.4597987 0.0000000 -3.0644273 9 O -2.4408056 0.0000000 0.0937311 0.0000000 -2.7693773 0.0000000 0.0976530 0.0000000 -2.5775962 10 O -2.4408056 0.0000000 0.0937311 0.0000000 -2.7693773 0.0000000 0.0976530 0.0000000 -2.5775962 11 O -2.4408056 0.0000000 -0.0937311 0.0000000 -2.7693773 0.0000000 -0.0976530 0.0000000 -2.5775962 12 O -2.4408056 0.0000000 -0.0937311 0.0000000 -2.7693773 0.0000000 -0.0976530 0.0000000 -2.5775962 13 O -2.9829081 0.0000000 0.0872363 0.0000000 -2.7582515 0.0000000 0.0799569 0.0000000 -2.1038156 14 O -2.9829081 0.0000000 0.0872363 0.0000000 -2.7582515 0.0000000 0.0799569 0.0000000 -2.1038156 15 O -2.9829081 0.0000000 -0.0872363 0.0000000 -2.7582515 0.0000000 -0.0799569 0.0000000 -2.1038156 16 O -2.9829081 0.0000000 -0.0872363 0.0000000 -2.7582515 0.0000000 -0.0799569 0.0000000 -2.1038156 17 Ba 2.8783318 0.0000000 0.1031328 0.0000000 2.5395412 0.0000000 0.0754494 0.0000000 2.5888073 18 Ba 2.8783318 0.0000000 0.1031328 0.0000000 2.5395412 0.0000000 0.0754494 0.0000000 2.5888073 19 Ba 2.8783318 0.0000000 -0.1031328 0.0000000 2.5395412 0.0000000 -0.0754494 0.0000000 2.5888073 20 Ba 2.8783318 0.0000000 -0.1031328 0.0000000 2.5395412 0.0000000 -0.0754494 0.0000000 2.5888073 21 Tb 3.5706901 0.0000000 -0.1627999 0.0000000 4.1000881 0.0000000 -0.1437436 0.0000000 4.0511515 22 Tb 3.5706901 0.0000000 -0.1627999 0.0000000 4.1000881 0.0000000 -0.1437436 0.0000000 4.0511515 23 Tb 3.5706901 0.0000000 0.1627999 0.0000000 4.1000881 0.0000000 0.1437436 0.0000000 4.0511515 24 Tb 3.5706901 0.0000000 0.1627999 0.0000000 4.1000881 0.0000000 0.1437436 0.0000000 4.0511515 25 Tb 3.6461080 0.0000000 0.2354369 0.0000000 4.2637320 0.0000000 0.1518867 0.0000000 3.6464657 26 Tb 3.6461080 0.0000000 0.2354369 0.0000000 4.2637320 0.0000000 0.1518867 0.0000000 3.6464657 27 Tb 3.6461080 0.0000000 -0.2354369 0.0000000 4.2637320 0.0000000 -0.1518867 0.0000000 3.6464657 28 Tb 3.6461080 0.0000000 -0.2354369 0.0000000 4.2637320 0.0000000 -0.1518867 0.0000000 3.6464657 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:17:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:17:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.373866010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.461906390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.094970379999998 Atomic positions (fractional): 1 O 0.93053660714568 0.25000000000000 0.92494043610597 15.999 2 O 0.06946339285432 0.75000000000000 0.07505956389403 15.999 3 O 0.43053660714568 0.25000000000000 0.57505956389403 15.999 4 O 0.56946339285432 0.75000000000000 0.42494043610597 15.999 5 O 0.01748624387387 0.25000000000000 0.28250226101694 15.999 6 O 0.98251375612613 0.75000000000000 0.71749773898306 15.999 7 O 0.51748624387387 0.25000000000000 0.21749773898306 15.999 8 O 0.48251375612613 0.75000000000000 0.78250226101694 15.999 9 O 0.61696491119282 0.25000000000000 0.98234085194070 15.999 10 O 0.38303508880718 0.75000000000000 0.01765914805930 15.999 11 O 0.11696491119282 0.25000000000000 0.51765914805930 15.999 12 O 0.88303508880718 0.75000000000000 0.48234085194070 15.999 13 O 0.78954572828807 0.75000000000000 0.16139184744538 15.999 14 O 0.21045427171193 0.25000000000000 0.83860815255462 15.999 15 O 0.28954572828807 0.75000000000000 0.33860815255462 15.999 16 O 0.71045427171193 0.25000000000000 0.66139184744538 15.999 17 Ba 0.24767652413402 0.75000000000000 0.64927641439175 137.327 18 Ba 0.75232347586598 0.25000000000000 0.35072358560825 137.327 19 Ba 0.74767652413402 0.75000000000000 0.85072358560825 137.327 20 Ba 0.25232347586598 0.25000000000000 0.14927641439175 137.327 21 Tb 0.92423269181871 0.25000000000000 0.11071196251369 158.925 22 Tb 0.07576730818129 0.75000000000000 0.88928803748631 158.925 23 Tb 0.42423269181871 0.25000000000000 0.38928803748631 158.925 24 Tb 0.57576730818129 0.75000000000000 0.61071196251369 158.925 25 Tb 0.57697517460978 0.75000000000000 0.10978189726890 158.925 26 Tb 0.42302482539022 0.25000000000000 0.89021810273110 158.925 27 Tb 0.07697517460978 0.75000000000000 0.39021810273110 158.925 28 Tb 0.92302482539022 0.25000000000000 0.60978189726890 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.373866010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.385719170000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.094970379999998 Atomic positions (fractional): 1 O 0.93053660714568 0.08333333333333 0.92494043610597 15.999 > 1 2 O 0.93053660714568 0.41666666666667 0.92494043610597 15.999 > 1 3 O 0.93053660714568 0.75000000000000 0.92494043610597 15.999 > 1 4 O 0.06946339285432 0.25000000000000 0.07505956389403 15.999 > 4 5 O 0.06946339285432 0.58333333333333 0.07505956389403 15.999 > 4 6 O 0.06946339285432 0.91666666666667 0.07505956389403 15.999 > 4 7 O 0.43053660714568 0.08333333333333 0.57505956389403 15.999 > 7 8 O 0.43053660714568 0.41666666666667 0.57505956389403 15.999 > 7 9 O 0.43053660714568 0.75000000000000 0.57505956389403 15.999 > 7 10 O 0.56946339285432 0.25000000000000 0.42494043610597 15.999 > 10 11 O 0.56946339285432 0.58333333333333 0.42494043610597 15.999 > 10 12 O 0.56946339285432 0.91666666666667 0.42494043610597 15.999 > 10 13 O 0.01748624387387 0.08333333333333 0.28250226101694 15.999 > 13 14 O 0.01748624387387 0.41666666666667 0.28250226101694 15.999 > 13 15 O 0.01748624387387 0.75000000000000 0.28250226101694 15.999 > 13 16 O 0.98251375612613 0.25000000000000 0.71749773898306 15.999 > 16 17 O 0.98251375612613 0.58333333333333 0.71749773898306 15.999 > 16 18 O 0.98251375612613 0.91666666666667 0.71749773898306 15.999 > 16 19 O 0.51748624387387 0.08333333333333 0.21749773898306 15.999 > 19 20 O 0.51748624387387 0.41666666666667 0.21749773898306 15.999 > 19 21 O 0.51748624387387 0.75000000000000 0.21749773898306 15.999 > 19 22 O 0.48251375612613 0.25000000000000 0.78250226101694 15.999 > 22 23 O 0.48251375612613 0.58333333333333 0.78250226101694 15.999 > 22 24 O 0.48251375612613 0.91666666666667 0.78250226101694 15.999 > 22 25 O 0.61696491119282 0.08333333333333 0.98234085194070 15.999 > 25 26 O 0.61696491119282 0.41666666666667 0.98234085194070 15.999 > 25 27 O 0.61696491119282 0.75000000000000 0.98234085194070 15.999 > 25 28 O 0.38303508880718 0.25000000000000 0.01765914805930 15.999 > 28 29 O 0.38303508880718 0.58333333333333 0.01765914805930 15.999 > 28 30 O 0.38303508880718 0.91666666666667 0.01765914805930 15.999 > 28 31 O 0.11696491119282 0.08333333333333 0.51765914805930 15.999 > 31 32 O 0.11696491119282 0.41666666666667 0.51765914805930 15.999 > 31 33 O 0.11696491119282 0.75000000000000 0.51765914805930 15.999 > 31 34 O 0.88303508880718 0.25000000000000 0.48234085194070 15.999 > 34 35 O 0.88303508880718 0.58333333333333 0.48234085194070 15.999 > 34 36 O 0.88303508880718 0.91666666666667 0.48234085194070 15.999 > 34 37 O 0.78954572828807 0.25000000000000 0.16139184744538 15.999 > 37 38 O 0.78954572828807 0.58333333333333 0.16139184744538 15.999 > 37 39 O 0.78954572828807 0.91666666666667 0.16139184744538 15.999 > 37 40 O 0.21045427171193 0.08333333333333 0.83860815255462 15.999 > 40 41 O 0.21045427171193 0.41666666666667 0.83860815255462 15.999 > 40 42 O 0.21045427171193 0.75000000000000 0.83860815255462 15.999 > 40 43 O 0.28954572828807 0.25000000000000 0.33860815255462 15.999 > 43 44 O 0.28954572828807 0.58333333333333 0.33860815255462 15.999 > 43 45 O 0.28954572828807 0.91666666666667 0.33860815255462 15.999 > 43 46 O 0.71045427171193 0.08333333333333 0.66139184744538 15.999 > 46 47 O 0.71045427171193 0.41666666666667 0.66139184744538 15.999 > 46 48 O 0.71045427171193 0.75000000000000 0.66139184744538 15.999 > 46 49 Ba 0.24767652413402 0.25000000000000 0.64927641439175 137.327 > 49 50 Ba 0.24767652413402 0.58333333333333 0.64927641439175 137.327 > 49 51 Ba 0.24767652413402 0.91666666666667 0.64927641439175 137.327 > 49 52 Ba 0.75232347586598 0.08333333333333 0.35072358560825 137.327 > 52 53 Ba 0.75232347586598 0.41666666666667 0.35072358560825 137.327 > 52 54 Ba 0.75232347586598 0.75000000000000 0.35072358560825 137.327 > 52 55 Ba 0.74767652413402 0.25000000000000 0.85072358560825 137.327 > 55 56 Ba 0.74767652413402 0.58333333333333 0.85072358560825 137.327 > 55 57 Ba 0.74767652413402 0.91666666666667 0.85072358560825 137.327 > 55 58 Ba 0.25232347586598 0.08333333333333 0.14927641439175 137.327 > 58 59 Ba 0.25232347586598 0.41666666666667 0.14927641439175 137.327 > 58 60 Ba 0.25232347586598 0.75000000000000 0.14927641439175 137.327 > 58 61 Tb 0.92423269181871 0.08333333333333 0.11071196251369 158.925 > 61 62 Tb 0.92423269181871 0.41666666666667 0.11071196251369 158.925 > 61 63 Tb 0.92423269181871 0.75000000000000 0.11071196251369 158.925 > 61 64 Tb 0.07576730818129 0.25000000000000 0.88928803748631 158.925 > 64 65 Tb 0.07576730818129 0.58333333333333 0.88928803748631 158.925 > 64 66 Tb 0.07576730818129 0.91666666666667 0.88928803748631 158.925 > 64 67 Tb 0.42423269181871 0.08333333333333 0.38928803748631 158.925 > 67 68 Tb 0.42423269181871 0.41666666666667 0.38928803748631 158.925 > 67 69 Tb 0.42423269181871 0.75000000000000 0.38928803748631 158.925 > 67 70 Tb 0.57576730818129 0.25000000000000 0.61071196251369 158.925 > 70 71 Tb 0.57576730818129 0.58333333333333 0.61071196251369 158.925 > 70 72 Tb 0.57576730818129 0.91666666666667 0.61071196251369 158.925 > 70 73 Tb 0.57697517460978 0.25000000000000 0.10978189726890 158.925 > 73 74 Tb 0.57697517460978 0.58333333333333 0.10978189726890 158.925 > 73 75 Tb 0.57697517460978 0.91666666666667 0.10978189726890 158.925 > 73 76 Tb 0.42302482539022 0.08333333333333 0.89021810273110 158.925 > 76 77 Tb 0.42302482539022 0.41666666666667 0.89021810273110 158.925 > 76 78 Tb 0.42302482539022 0.75000000000000 0.89021810273110 158.925 > 76 79 Tb 0.07697517460978 0.25000000000000 0.39021810273110 158.925 > 79 80 Tb 0.07697517460978 0.58333333333333 0.39021810273110 158.925 > 79 81 Tb 0.07697517460978 0.91666666666667 0.39021810273110 158.925 > 79 82 Tb 0.92302482539022 0.08333333333333 0.60978189726890 158.925 > 82 83 Tb 0.92302482539022 0.41666666666667 0.60978189726890 158.925 > 82 84 Tb 0.92302482539022 0.75000000000000 0.60978189726890 158.925 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4079602 0.0000000 0.0000000 0.0000000 4.5671859 0.0000000 0.0000000 0.0000000 4.4439957 -------------------------- Born effective charges -------------------------- 1 O -2.5115647 0.0000000 -0.1200390 0.0000000 -2.7943297 0.0000000 0.0490275 0.0000000 -2.5405855 2 O -2.5115647 0.0000000 -0.1200390 0.0000000 -2.7943297 0.0000000 0.0490275 0.0000000 -2.5405855 3 O -2.5115647 0.0000000 0.1200390 0.0000000 -2.7943297 0.0000000 -0.0490275 0.0000000 -2.5405855 4 O -2.5115647 0.0000000 0.1200390 0.0000000 -2.7943297 0.0000000 -0.0490275 0.0000000 -2.5405855 5 O -2.1598515 0.0000000 -0.3170875 0.0000000 -2.5814029 0.0000000 -0.4597987 0.0000000 -3.0644273 6 O -2.1598515 0.0000000 -0.3170875 0.0000000 -2.5814029 0.0000000 -0.4597987 0.0000000 -3.0644273 7 O -2.1598515 0.0000000 0.3170875 0.0000000 -2.5814029 0.0000000 0.4597987 0.0000000 -3.0644273 8 O -2.1598515 0.0000000 0.3170875 0.0000000 -2.5814029 0.0000000 0.4597987 0.0000000 -3.0644273 9 O -2.4408056 0.0000000 0.0937311 0.0000000 -2.7693773 0.0000000 0.0976530 0.0000000 -2.5775962 10 O -2.4408056 0.0000000 0.0937311 0.0000000 -2.7693773 0.0000000 0.0976530 0.0000000 -2.5775962 11 O -2.4408056 0.0000000 -0.0937311 0.0000000 -2.7693773 0.0000000 -0.0976530 0.0000000 -2.5775962 12 O -2.4408056 0.0000000 -0.0937311 0.0000000 -2.7693773 0.0000000 -0.0976530 0.0000000 -2.5775962 13 O -2.9829081 0.0000000 0.0872363 0.0000000 -2.7582515 0.0000000 0.0799569 0.0000000 -2.1038156 14 O -2.9829081 0.0000000 0.0872363 0.0000000 -2.7582515 0.0000000 0.0799569 0.0000000 -2.1038156 15 O -2.9829081 0.0000000 -0.0872363 0.0000000 -2.7582515 0.0000000 -0.0799569 0.0000000 -2.1038156 16 O -2.9829081 0.0000000 -0.0872363 0.0000000 -2.7582515 0.0000000 -0.0799569 0.0000000 -2.1038156 17 Ba 2.8783318 0.0000000 0.1031328 0.0000000 2.5395412 0.0000000 0.0754494 0.0000000 2.5888073 18 Ba 2.8783318 0.0000000 0.1031328 0.0000000 2.5395412 0.0000000 0.0754494 0.0000000 2.5888073 19 Ba 2.8783318 0.0000000 -0.1031328 0.0000000 2.5395412 0.0000000 -0.0754494 0.0000000 2.5888073 20 Ba 2.8783318 0.0000000 -0.1031328 0.0000000 2.5395412 0.0000000 -0.0754494 0.0000000 2.5888073 21 Tb 3.5706901 0.0000000 -0.1627999 0.0000000 4.1000881 0.0000000 -0.1437436 0.0000000 4.0511515 22 Tb 3.5706901 0.0000000 -0.1627999 0.0000000 4.1000881 0.0000000 -0.1437436 0.0000000 4.0511515 23 Tb 3.5706901 0.0000000 0.1627999 0.0000000 4.1000881 0.0000000 0.1437436 0.0000000 4.0511515 24 Tb 3.5706901 0.0000000 0.1627999 0.0000000 4.1000881 0.0000000 0.1437436 0.0000000 4.0511515 25 Tb 3.6461080 0.0000000 0.2354369 0.0000000 4.2637320 0.0000000 0.1518867 0.0000000 3.6464657 26 Tb 3.6461080 0.0000000 0.2354369 0.0000000 4.2637320 0.0000000 0.1518867 0.0000000 3.6464657 27 Tb 3.6461080 0.0000000 -0.2354369 0.0000000 4.2637320 0.0000000 -0.1518867 0.0000000 3.6464657 28 Tb 3.6461080 0.0000000 -0.2354369 0.0000000 4.2637320 0.0000000 -0.1518867 0.0000000 3.6464657 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.997 ( 0.000 0.000 0.000) 0.000 2.004 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.337 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.514 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 7.803 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 8.041 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 8.673 ( 0.000 0.000 0.000) 0.000 9.077 ( 0.000 0.000 0.000) 0.000 9.280 ( 0.000 0.000 0.000) 0.000 9.401 ( 0.000 0.000 0.000) 0.000 9.524 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.779 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 10.193 ( 0.000 0.000 0.000) 0.000 10.392 ( 0.000 0.000 0.000) 0.000 10.552 ( 0.000 0.000 0.000) 0.000 10.948 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 11.137 ( 0.000 0.000 0.000) 0.000 11.439 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 11.543 ( 0.000 0.000 0.000) 0.000 11.573 ( 0.000 0.000 0.000) 0.000 11.893 ( 0.000 0.000 0.000) 0.000 12.322 ( 0.000 0.000 0.000) 0.000 12.343 ( 0.000 0.000 0.000) 0.000 12.574 ( 0.000 0.000 0.000) 0.000 13.326 ( 0.000 0.000 0.000) 0.000 13.511 ( 0.000 0.000 0.000) 0.000 13.846 ( 0.000 0.000 0.000) 0.000 13.977 ( 0.000 0.000 0.000) 0.000 15.653 ( 0.000 0.000 0.000) 0.000 15.748 ( 0.000 0.000 0.000) 0.000 15.852 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000 16.861 ( 0.000 0.000 0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 26.525 0.000 0.000) 26.525 0.516 ( 26.168 0.000 0.000) 26.168 0.899 ( 46.297 0.000 0.000) 46.297 1.550 ( 1.036 0.000 0.000) 1.036 1.826 ( -12.238 0.000 0.000) 12.238 1.925 ( -3.024 0.000 0.000) 3.024 1.927 ( -16.975 0.000 0.000) 16.975 2.061 ( 0.851 0.000 0.000) 0.851 2.082 ( 3.395 0.000 0.000) 3.395 2.192 ( 1.492 0.000 0.000) 1.492 2.195 ( 7.036 0.000 0.000) 7.036 2.221 ( 2.379 0.000 0.000) 2.379 2.335 ( 0.495 0.000 0.000) 0.495 2.335 ( 1.146 0.000 0.000) 1.146 2.509 ( 1.960 0.000 0.000) 1.960 2.597 ( -0.627 0.000 0.000) 0.627 2.740 ( 1.495 0.000 0.000) 1.495 2.812 ( 2.170 0.000 0.000) 2.170 2.813 ( -5.199 0.000 0.000) 5.199 2.947 ( 11.744 0.000 0.000) 11.744 2.982 ( -1.778 0.000 0.000) 1.778 3.078 ( 6.565 0.000 0.000) 6.565 3.330 ( -1.155 0.000 0.000) 1.155 3.407 ( -23.564 0.000 0.000) 23.564 3.720 ( 8.419 0.000 0.000) 8.419 3.940 ( 9.606 0.000 0.000) 9.606 4.085 ( -10.414 0.000 0.000) 10.414 4.251 ( -20.862 0.000 0.000) 20.862 4.773 ( -15.392 0.000 0.000) 15.392 4.779 ( -5.663 0.000 0.000) 5.663 4.895 ( 10.055 0.000 0.000) 10.055 4.976 ( 3.844 0.000 0.000) 3.844 5.149 ( 2.616 0.000 0.000) 2.616 5.210 ( -1.265 0.000 0.000) 1.265 5.581 ( 5.620 0.000 0.000) 5.620 5.613 ( 6.797 0.000 0.000) 6.797 6.022 ( -5.016 0.000 0.000) 5.016 6.346 ( 11.054 0.000 0.000) 11.054 6.463 ( -20.364 0.000 0.000) 20.364 7.028 ( -5.847 0.000 0.000) 5.847 7.416 ( 2.716 0.000 0.000) 2.716 7.475 ( 17.935 0.000 0.000) 17.935 7.723 ( 0.732 0.000 0.000) 0.732 7.742 ( -5.733 0.000 0.000) 5.733 7.915 ( 0.717 0.000 0.000) 0.717 8.046 ( 0.787 0.000 0.000) 0.787 8.223 ( -1.401 0.000 0.000) 1.401 8.268 ( -7.297 0.000 0.000) 7.297 8.603 ( 8.939 0.000 0.000) 8.939 8.731 ( 4.951 0.000 0.000) 4.951 9.217 ( 12.822 0.000 0.000) 12.822 9.265 ( -1.212 0.000 0.000) 1.212 9.375 ( -2.641 0.000 0.000) 2.641 9.496 ( -1.727 0.000 0.000) 1.727 9.627 ( 0.381 0.000 0.000) 0.381 9.714 ( -5.492 0.000 0.000) 5.492 10.126 ( 0.408 0.000 0.000) 0.408 10.183 ( -0.985 0.000 0.000) 0.985 10.499 ( 9.320 0.000 0.000) 9.320 10.677 ( 10.935 0.000 0.000) 10.935 10.881 ( -3.265 0.000 0.000) 3.265 11.048 ( 0.315 0.000 0.000) 0.315 11.090 ( -0.729 0.000 0.000) 0.729 11.206 ( 4.669 0.000 0.000) 4.669 11.443 ( 0.423 0.000 0.000) 0.423 11.479 ( -0.649 0.000 0.000) 0.649 11.535 ( -8.448 0.000 0.000) 8.448 11.551 ( 0.667 0.000 0.000) 0.667 11.573 ( -0.032 0.000 0.000) 0.032 11.814 ( -9.697 0.000 0.000) 9.697 12.334 ( -0.527 0.000 0.000) 0.527 12.499 ( -5.996 0.000 0.000) 5.996 13.261 ( 2.183 0.000 0.000) 2.183 13.472 ( -3.623 0.000 0.000) 3.623 13.869 ( 2.134 0.000 0.000) 2.134 13.971 ( -0.659 0.000 0.000) 0.659 15.571 ( 0.108 0.000 0.000) 0.108 15.716 ( -2.777 0.000 0.000) 2.777 15.885 ( 2.382 0.000 0.000) 2.382 15.920 ( -0.055 0.000 0.000) 0.055 16.741 ( 0.543 0.000 0.000) 0.543 16.799 ( -1.497 0.000 0.000) 1.497 16.875 ( 1.311 0.000 0.000) 1.311 16.975 ( 0.280 0.000 0.000) 0.280 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 23.492 0.000 0.000) 23.492 1.020 ( 25.672 0.000 0.000) 25.672 1.403 ( -17.449 0.000 0.000) 17.449 1.497 ( -22.595 0.000 0.000) 22.595 1.732 ( 3.566 0.000 0.000) 3.566 1.778 ( 41.066 0.000 0.000) 41.066 1.835 ( -5.760 0.000 0.000) 5.760 2.102 ( 3.077 0.000 0.000) 3.077 2.149 ( 2.064 0.000 0.000) 2.064 2.166 ( -3.085 0.000 0.000) 3.085 2.221 ( 0.961 0.000 0.000) 0.961 2.354 ( 0.787 0.000 0.000) 0.787 2.355 ( 0.656 0.000 0.000) 0.656 2.466 ( 14.245 0.000 0.000) 14.245 2.548 ( 1.888 0.000 0.000) 1.888 2.565 ( -27.656 0.000 0.000) 27.656 2.579 ( -1.274 0.000 0.000) 1.274 2.693 ( -8.672 0.000 0.000) 8.672 2.868 ( 3.418 0.000 0.000) 3.418 2.931 ( -6.198 0.000 0.000) 6.198 2.933 ( -3.118 0.000 0.000) 3.118 2.977 ( -5.379 0.000 0.000) 5.379 3.398 ( 18.173 0.000 0.000) 18.173 3.504 ( 15.993 0.000 0.000) 15.993 3.813 ( -20.014 0.000 0.000) 20.014 3.836 ( -15.150 0.000 0.000) 15.150 3.947 ( 11.166 0.000 0.000) 11.166 4.113 ( 2.983 0.000 0.000) 2.983 4.472 ( -8.826 0.000 0.000) 8.826 4.574 ( -12.076 0.000 0.000) 12.076 5.053 ( 4.686 0.000 0.000) 4.686 5.068 ( 2.731 0.000 0.000) 2.731 5.178 ( 0.738 0.000 0.000) 0.738 5.189 ( -0.747 0.000 0.000) 0.747 5.679 ( 3.733 0.000 0.000) 3.733 5.704 ( 1.654 0.000 0.000) 1.654 5.996 ( 3.142 0.000 0.000) 3.142 6.145 ( -12.156 0.000 0.000) 12.156 6.582 ( 13.095 0.000 0.000) 13.095 6.834 ( -12.468 0.000 0.000) 12.468 7.494 ( 5.253 0.000 0.000) 5.253 7.613 ( -6.899 0.000 0.000) 6.899 7.738 ( 5.537 0.000 0.000) 5.537 7.746 ( 1.547 0.000 0.000) 1.547 7.973 ( 7.602 0.000 0.000) 7.602 8.078 ( 2.617 0.000 0.000) 2.617 8.143 ( -7.240 0.000 0.000) 7.240 8.150 ( -4.929 0.000 0.000) 4.929 8.753 ( 5.979 0.000 0.000) 5.979 8.804 ( 1.142 0.000 0.000) 1.142 9.256 ( 0.966 0.000 0.000) 0.966 9.308 ( -3.818 0.000 0.000) 3.818 9.450 ( 7.750 0.000 0.000) 7.750 9.487 ( 0.621 0.000 0.000) 0.621 9.624 ( -2.361 0.000 0.000) 2.361 9.629 ( -0.610 0.000 0.000) 0.610 10.139 ( 0.916 0.000 0.000) 0.916 10.160 ( -1.267 0.000 0.000) 1.267 10.672 ( 7.028 0.000 0.000) 7.028 10.753 ( -2.111 0.000 0.000) 2.111 11.056 ( 19.474 0.000 0.000) 19.474 11.058 ( 0.674 0.000 0.000) 0.674 11.073 ( -0.923 0.000 0.000) 0.923 11.283 ( 4.034 0.000 0.000) 4.034 11.359 ( -9.019 0.000 0.000) 9.019 11.454 ( 0.599 0.000 0.000) 0.599 11.466 ( -0.677 0.000 0.000) 0.677 11.506 ( -20.152 0.000 0.000) 20.152 11.563 ( 0.544 0.000 0.000) 0.544 11.570 ( -0.220 0.000 0.000) 0.220 12.343 ( 1.726 0.000 0.000) 1.726 12.399 ( -4.023 0.000 0.000) 4.023 13.315 ( 3.345 0.000 0.000) 3.345 13.390 ( -4.377 0.000 0.000) 4.377 13.914 ( 2.256 0.000 0.000) 2.256 13.951 ( -1.477 0.000 0.000) 1.477 15.593 ( 2.309 0.000 0.000) 2.309 15.653 ( -3.509 0.000 0.000) 3.509 15.917 ( 0.749 0.000 0.000) 0.749 15.921 ( 0.092 0.000 0.000) 0.092 16.756 ( 0.901 0.000 0.000) 0.901 16.774 ( -1.031 0.000 0.000) 1.031 16.913 ( 2.557 0.000 0.000) 2.557 16.960 ( -1.904 0.000 0.000) 1.904 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.000 26.387 0.000) 26.387 0.583 ( 0.000 27.760 0.000) 27.760 1.141 ( 0.000 54.484 0.000) 54.484 1.785 ( 0.000 21.954 0.000) 21.954 2.024 ( 0.000 2.911 0.000) 2.911 2.071 ( 0.000 2.283 0.000) 2.283 2.080 ( 0.000 11.196 0.000) 11.196 2.179 ( 0.000 0.584 0.000) 0.584 2.216 ( 0.000 18.571 0.000) 18.571 2.251 ( 0.000 10.783 0.000) 10.783 2.272 ( 0.000 18.550 0.000) 18.550 2.294 ( 0.000 6.074 0.000) 6.074 2.490 ( 0.000 13.522 0.000) 13.522 2.520 ( 0.000 15.621 0.000) 15.621 2.681 ( 0.000 17.264 0.000) 17.264 2.700 ( 0.000 -0.187 0.000) 0.187 2.741 ( 0.000 -0.243 0.000) 0.243 2.757 ( 0.000 2.157 0.000) 2.157 2.777 ( 0.000 15.559 0.000) 15.559 3.025 ( 0.000 1.924 0.000) 1.924 3.119 ( 0.000 17.894 0.000) 17.894 3.200 ( 0.000 18.428 0.000) 18.428 3.367 ( 0.000 -1.262 0.000) 1.262 3.693 ( 0.000 8.393 0.000) 8.393 3.727 ( 0.000 4.042 0.000) 4.042 3.874 ( 0.000 5.083 0.000) 5.083 4.185 ( 0.000 -2.124 0.000) 2.124 4.413 ( 0.000 -1.714 0.000) 1.714 4.550 ( 0.000 -0.393 0.000) 0.393 4.720 ( 0.000 -0.905 0.000) 0.905 4.937 ( 0.000 -2.835 0.000) 2.835 5.031 ( 0.000 -2.530 0.000) 2.530 5.031 ( 0.000 -1.490 0.000) 1.490 5.212 ( 0.000 -1.366 0.000) 1.366 5.476 ( 0.000 -3.983 0.000) 3.983 5.516 ( 0.000 0.063 0.000) 0.063 6.143 ( 0.000 0.064 0.000) 0.064 6.147 ( 0.000 -1.880 0.000) 1.880 6.691 ( 0.000 -2.390 0.000) 2.390 6.786 ( 0.000 -5.122 0.000) 5.122 7.217 ( 0.000 1.072 0.000) 1.072 7.739 ( 0.000 2.015 0.000) 2.015 7.869 ( 0.000 -3.562 0.000) 3.562 7.984 ( 0.000 -4.494 0.000) 4.494 8.050 ( 0.000 19.502 0.000) 19.502 8.214 ( 0.000 -0.714 0.000) 0.714 8.217 ( 0.000 -1.836 0.000) 1.836 8.511 ( 0.000 7.089 0.000) 7.089 8.660 ( 0.000 18.913 0.000) 18.913 8.838 ( 0.000 14.463 0.000) 14.463 9.088 ( 0.000 1.242 0.000) 1.242 9.365 ( 0.000 7.138 0.000) 7.138 9.548 ( 0.000 2.399 0.000) 2.399 9.561 ( 0.000 9.955 0.000) 9.955 9.655 ( 0.000 6.181 0.000) 6.181 9.812 ( 0.000 -0.308 0.000) 0.308 10.047 ( 0.000 0.474 0.000) 0.474 10.101 ( 0.000 -7.526 0.000) 7.526 10.417 ( 0.000 -11.399 0.000) 11.399 10.462 ( 0.000 5.789 0.000) 5.789 10.953 ( 0.000 -9.319 0.000) 9.319 10.966 ( 0.000 -12.275 0.000) 12.275 11.135 ( 0.000 14.053 0.000) 14.053 11.149 ( 0.000 1.534 0.000) 1.534 11.308 ( 0.000 1.920 0.000) 1.920 11.455 ( 0.000 -2.860 0.000) 2.860 11.478 ( 0.000 -6.522 0.000) 6.522 11.568 ( 0.000 3.650 0.000) 3.650 11.882 ( 0.000 -1.081 0.000) 1.081 12.355 ( 0.000 2.440 0.000) 2.440 12.367 ( 0.000 2.057 0.000) 2.057 12.576 ( 0.000 0.224 0.000) 0.224 13.260 ( 0.000 -6.659 0.000) 6.659 13.539 ( 0.000 1.467 0.000) 1.467 13.766 ( 0.000 -7.590 0.000) 7.590 13.855 ( 0.000 -11.306 0.000) 11.306 15.623 ( 0.000 -3.185 0.000) 3.185 15.705 ( 0.000 -4.058 0.000) 4.058 15.737 ( 0.000 -0.636 0.000) 0.636 15.785 ( 0.000 -6.236 0.000) 6.236 16.648 ( 0.000 -7.162 0.000) 7.162 16.725 ( 0.000 -8.758 0.000) 8.758 16.764 ( 0.000 -9.097 0.000) 9.097 16.877 ( 0.000 -8.519 0.000) 8.519 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 19.317 17.941 0.000) 26.363 0.768 ( 16.718 20.119 0.000) 26.158 1.436 ( 26.371 42.324 0.000) 49.868 1.799 ( 0.057 21.059 0.000) 21.059 1.959 ( -15.235 4.023 0.000) 15.758 1.996 ( -12.523 13.997 0.000) 18.781 2.083 ( -1.297 13.337 0.000) 13.400 2.116 ( 4.123 3.397 0.000) 5.342 2.195 ( 7.145 4.530 0.000) 8.460 2.211 ( 2.745 2.401 0.000) 3.647 2.293 ( -0.027 15.213 0.000) 15.213 2.366 ( 2.115 15.872 0.000) 16.012 2.479 ( 0.227 12.574 0.000) 12.577 2.522 ( 0.159 15.096 0.000) 15.097 2.672 ( -1.391 11.203 0.000) 11.289 2.732 ( 3.265 3.381 0.000) 4.701 2.769 ( -0.717 15.495 0.000) 15.512 2.774 ( 0.119 3.416 0.000) 3.418 2.949 ( 12.828 0.501 0.000) 12.838 3.057 ( 0.711 10.115 0.000) 10.140 3.133 ( 5.141 10.340 0.000) 11.547 3.181 ( -2.001 18.105 0.000) 18.216 3.322 ( -1.072 -0.288 0.000) 1.110 3.467 ( -22.421 6.895 0.000) 23.457 3.780 ( 7.972 6.751 0.000) 10.446 3.978 ( 8.710 3.994 0.000) 9.582 4.067 ( -10.095 -1.546 0.000) 10.212 4.193 ( -17.695 -3.269 0.000) 17.994 4.684 ( 2.671 -2.918 0.000) 3.956 4.765 ( -14.572 -0.746 0.000) 14.591 4.859 ( 9.192 -2.970 0.000) 9.660 4.923 ( -1.224 -3.434 0.000) 3.646 5.125 ( 2.886 -2.165 0.000) 3.607 5.185 ( -1.560 -2.301 0.000) 2.780 5.573 ( 4.901 -0.754 0.000) 4.958 5.574 ( 6.970 -3.664 0.000) 7.874 6.020 ( -4.591 0.127 0.000) 4.593 6.314 ( 9.707 -2.370 0.000) 9.992 6.414 ( -17.275 -2.186 0.000) 17.412 6.833 ( -2.052 -4.702 0.000) 5.131 7.427 ( 16.362 -3.549 0.000) 16.742 7.738 ( 0.083 1.689 0.000) 1.691 7.853 ( -1.713 -1.795 0.000) 2.481 7.961 ( -2.189 0.841 0.000) 2.345 8.029 ( -1.368 14.301 0.000) 14.366 8.084 ( -8.360 16.884 0.000) 18.840 8.257 ( 1.948 2.703 0.000) 3.332 8.398 ( -8.290 11.663 0.000) 14.309 8.748 ( 7.934 13.717 0.000) 15.846 8.853 ( 2.871 11.481 0.000) 11.835 9.237 ( 12.808 2.329 0.000) 13.018 9.358 ( -0.412 7.569 0.000) 7.580 9.491 ( -3.479 5.102 0.000) 6.176 9.540 ( -2.634 9.923 0.000) 10.266 9.653 ( 0.553 3.077 0.000) 3.127 9.736 ( -6.237 0.838 0.000) 6.293 10.051 ( 1.454 -3.347 0.000) 3.649 10.145 ( 2.542 -4.461 0.000) 5.134 10.532 ( 5.989 2.821 0.000) 6.620 10.576 ( 12.576 -7.561 0.000) 14.674 10.944 ( -1.312 -11.491 0.000) 11.566 10.947 ( -0.997 -7.638 0.000) 7.703 11.011 ( -3.692 6.898 0.000) 7.824 11.237 ( 2.410 3.638 0.000) 4.364 11.336 ( 2.451 -4.278 0.000) 4.931 11.465 ( -0.999 -4.207 0.000) 4.324 11.467 ( 1.132 -1.167 0.000) 1.625 11.541 ( -2.757 0.858 0.000) 2.888 11.747 ( -15.440 2.658 0.000) 15.667 11.974 ( -21.317 11.477 0.000) 24.210 12.384 ( 1.779 4.210 0.000) 4.570 12.540 ( -3.876 2.820 0.000) 4.793 13.243 ( 0.507 -4.100 0.000) 4.131 13.473 ( -5.598 -1.140 0.000) 5.713 13.803 ( 2.858 -6.216 0.000) 6.841 13.862 ( 0.556 -10.269 0.000) 10.285 15.566 ( -1.438 -1.289 0.000) 1.932 15.677 ( -2.245 -3.508 0.000) 4.165 15.820 ( 2.615 -6.107 0.000) 6.643 15.845 ( 3.897 -5.034 0.000) 6.366 16.653 ( 0.483 -7.836 0.000) 7.851 16.707 ( -1.418 -8.724 0.000) 8.839 16.781 ( 1.604 -8.748 0.000) 8.894 16.887 ( 0.414 -8.339 0.000) 8.349 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 21.388 11.618 0.000) 24.340 1.180 ( 22.844 13.375 0.000) 26.471 1.571 ( -21.342 7.180 0.000) 22.517 1.597 ( -18.883 15.092 0.000) 24.173 1.938 ( 4.183 17.722 0.000) 18.209 2.024 ( 22.444 22.338 0.000) 31.666 2.032 ( 3.366 17.497 0.000) 17.818 2.200 ( 3.398 4.736 0.000) 5.829 2.232 ( -0.195 5.350 0.000) 5.353 2.303 ( 6.313 14.167 0.000) 15.510 2.326 ( -4.818 13.988 0.000) 14.795 2.483 ( 14.511 3.908 0.000) 15.028 2.494 ( -0.572 13.134 0.000) 13.146 2.520 ( 0.050 12.933 0.000) 12.933 2.636 ( -10.550 5.606 0.000) 11.947 2.695 ( -2.172 9.367 0.000) 9.615 2.739 ( -8.490 10.005 0.000) 13.121 2.740 ( -2.475 13.913 0.000) 14.131 2.976 ( -7.659 6.603 0.000) 10.112 3.005 ( -4.475 3.625 0.000) 5.759 3.100 ( -1.435 19.405 0.000) 19.458 3.132 ( -2.602 17.971 0.000) 18.159 3.402 ( 17.396 0.792 0.000) 17.414 3.492 ( 15.853 -1.011 0.000) 15.885 3.804 ( -20.743 -0.904 0.000) 20.763 3.822 ( -15.021 -1.230 0.000) 15.071 3.983 ( 12.150 4.524 0.000) 12.965 4.135 ( 2.848 2.702 0.000) 3.926 4.483 ( -8.564 1.224 0.000) 8.651 4.563 ( -10.233 -0.240 0.000) 10.236 4.989 ( 3.591 -5.958 0.000) 6.956 4.994 ( 3.533 -4.862 0.000) 6.010 5.155 ( 0.622 -2.190 0.000) 2.277 5.164 ( -0.652 -2.348 0.000) 2.437 5.657 ( 3.035 -2.105 0.000) 3.694 5.670 ( 2.170 -3.297 0.000) 3.947 5.998 ( 2.941 0.686 0.000) 3.020 6.134 ( -10.987 -0.161 0.000) 10.989 6.516 ( 10.976 -4.265 0.000) 11.775 6.717 ( -9.108 -5.592 0.000) 10.688 7.697 ( 8.638 -4.348 0.000) 9.670 7.745 ( 0.376 0.774 0.000) 0.860 7.832 ( 1.194 6.099 0.000) 6.215 7.899 ( -3.865 10.090 0.000) 10.805 7.997 ( -0.780 15.108 0.000) 15.128 8.015 ( -0.818 5.065 0.000) 5.131 8.248 ( -1.569 8.443 0.000) 8.588 8.270 ( -4.390 10.844 0.000) 11.699 8.893 ( 5.766 11.813 0.000) 13.145 8.927 ( 2.555 11.010 0.000) 11.303 9.342 ( 1.119 7.609 0.000) 7.691 9.405 ( -4.929 9.180 0.000) 10.419 9.493 ( 8.632 4.040 0.000) 9.531 9.526 ( 0.977 3.652 0.000) 3.780 9.634 ( -2.738 1.076 0.000) 2.942 9.654 ( -1.232 2.743 0.000) 3.007 10.107 ( 3.773 -3.247 0.000) 4.978 10.161 ( -1.102 -1.241 0.000) 1.660 10.639 ( 4.103 -1.941 0.000) 4.539 10.692 ( -1.332 -3.249 0.000) 3.511 10.940 ( 0.874 -10.450 0.000) 10.486 10.953 ( 0.212 -9.650 0.000) 9.653 11.135 ( 17.781 5.651 0.000) 18.658 11.269 ( 3.044 -1.096 0.000) 3.235 11.376 ( -6.510 0.116 0.000) 6.511 11.401 ( -0.266 -10.326 0.000) 10.329 11.471 ( -4.029 -5.064 0.000) 6.471 11.486 ( 0.576 1.839 0.000) 1.927 11.504 ( -3.157 4.050 0.000) 5.135 11.575 ( -22.306 4.897 0.000) 22.837 12.432 ( 2.877 6.963 0.000) 7.534 12.482 ( -2.343 6.072 0.000) 6.508 13.278 ( 3.028 -4.460 0.000) 5.390 13.361 ( -5.436 -3.759 0.000) 6.609 13.850 ( 1.747 -6.345 0.000) 6.581 13.868 ( -0.172 -8.093 0.000) 8.095 15.573 ( 1.907 -1.972 0.000) 2.743 15.625 ( -3.038 -2.567 0.000) 3.977 15.861 ( 1.447 -5.327 0.000) 5.520 15.875 ( 0.031 -4.380 0.000) 4.380 16.666 ( 0.797 -8.360 0.000) 8.398 16.683 ( -0.977 -8.580 0.000) 8.635 16.825 ( 2.772 -8.256 0.000) 8.709 16.874 ( -1.864 -8.125 0.000) 8.336 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 24.793 0.000) 24.793 1.132 ( 0.000 25.043 0.000) 25.043 2.061 ( 0.000 11.225 0.000) 11.225 2.131 ( 0.000 3.277 0.000) 3.277 2.226 ( 0.000 3.837 0.000) 3.837 2.277 ( 0.000 43.601 0.000) 43.601 2.278 ( 0.000 21.921 0.000) 21.921 2.316 ( 0.000 9.902 0.000) 9.902 2.483 ( 0.000 10.099 0.000) 10.099 2.510 ( 0.000 14.511 0.000) 14.511 2.598 ( 0.000 7.828 0.000) 7.828 2.705 ( 0.000 8.328 0.000) 8.328 2.742 ( 0.000 14.182 0.000) 14.182 2.777 ( 0.000 17.952 0.000) 17.952 2.854 ( 0.000 18.842 0.000) 18.842 2.885 ( 0.000 18.478 0.000) 18.478 2.893 ( 0.000 10.993 0.000) 10.993 3.110 ( 0.000 6.934 0.000) 6.934 3.127 ( 0.000 22.672 0.000) 22.672 3.190 ( 0.000 21.570 0.000) 21.570 3.340 ( 0.000 -0.421 0.000) 0.421 3.524 ( 0.000 19.682 0.000) 19.682 3.701 ( 0.000 28.717 0.000) 28.717 3.903 ( 0.000 13.159 0.000) 13.159 3.976 ( 0.000 19.083 0.000) 19.083 4.050 ( 0.000 12.206 0.000) 12.206 4.147 ( 0.000 0.509 0.000) 0.509 4.361 ( 0.000 -3.200 0.000) 3.200 4.539 ( 0.000 -0.810 0.000) 0.810 4.726 ( 0.000 2.226 0.000) 2.226 4.857 ( 0.000 -4.427 0.000) 4.427 4.964 ( 0.000 -3.377 0.000) 3.377 4.981 ( 0.000 -3.400 0.000) 3.400 5.173 ( 0.000 -2.199 0.000) 2.199 5.367 ( 0.000 -6.393 0.000) 6.393 5.509 ( 0.000 -0.947 0.000) 0.947 6.121 ( 0.000 -0.110 0.000) 0.110 6.156 ( 0.000 1.384 0.000) 1.384 6.650 ( 0.000 -1.132 0.000) 1.132 6.663 ( 0.000 -6.022 0.000) 6.022 7.249 ( 0.000 1.843 0.000) 1.843 7.768 ( 0.000 -5.913 0.000) 5.913 7.774 ( 0.000 -14.251 0.000) 14.251 7.780 ( 0.000 1.211 0.000) 1.211 8.211 ( 0.000 1.398 0.000) 1.398 8.224 ( 0.000 2.027 0.000) 2.027 8.512 ( 0.000 20.559 0.000) 20.559 8.664 ( 0.000 6.491 0.000) 6.491 9.087 ( 0.000 19.397 0.000) 19.397 9.126 ( 0.000 2.080 0.000) 2.080 9.152 ( 0.000 11.174 0.000) 11.174 9.531 ( 0.000 9.921 0.000) 9.921 9.571 ( 0.000 -4.862 0.000) 4.862 9.623 ( 0.000 4.609 0.000) 4.609 9.761 ( 0.000 -0.788 0.000) 0.788 9.919 ( 0.000 -9.292 0.000) 9.292 9.959 ( 0.000 12.413 0.000) 12.413 10.124 ( 0.000 -16.130 0.000) 16.130 10.264 ( 0.000 17.330 0.000) 17.330 10.607 ( 0.000 7.633 0.000) 7.633 10.750 ( 0.000 -0.786 0.000) 0.786 10.805 ( 0.000 -0.766 0.000) 0.766 11.212 ( 0.000 4.676 0.000) 4.676 11.330 ( 0.000 -0.506 0.000) 0.506 11.389 ( 0.000 -2.818 0.000) 2.818 11.389 ( 0.000 -1.174 0.000) 1.174 11.410 ( 0.000 11.367 0.000) 11.367 11.666 ( 0.000 4.591 0.000) 4.591 11.855 ( 0.000 -1.316 0.000) 1.316 12.394 ( 0.000 0.959 0.000) 0.959 12.401 ( 0.000 0.068 0.000) 0.068 12.579 ( 0.000 -0.194 0.000) 0.194 13.048 ( 0.000 -13.646 0.000) 13.646 13.511 ( 0.000 -5.246 0.000) 5.246 13.548 ( 0.000 -12.738 0.000) 12.738 13.548 ( 0.000 -17.187 0.000) 17.187 15.511 ( 0.000 -7.674 0.000) 7.674 15.596 ( 0.000 -5.923 0.000) 5.923 15.614 ( 0.000 -9.665 0.000) 9.665 15.710 ( 0.000 -2.066 0.000) 2.066 16.444 ( 0.000 -12.143 0.000) 12.143 16.472 ( 0.000 -15.202 0.000) 15.202 16.510 ( 0.000 -14.752 0.000) 14.752 16.632 ( 0.000 -14.762 0.000) 14.762 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 10.097 21.335 0.000) 23.604 1.221 ( 8.837 22.259 0.000) 23.949 2.065 ( -9.380 6.938 0.000) 11.667 2.157 ( 2.266 6.243 0.000) 6.642 2.229 ( 2.022 4.368 0.000) 4.813 2.263 ( -14.884 10.704 0.000) 18.333 2.314 ( 6.368 6.844 0.000) 9.348 2.328 ( 3.482 19.631 0.000) 19.938 2.376 ( 7.735 35.433 0.000) 36.267 2.438 ( 2.985 23.268 0.000) 23.459 2.728 ( 6.912 3.907 0.000) 7.940 2.749 ( -0.972 26.184 0.000) 26.202 2.786 ( -2.254 20.698 0.000) 20.820 2.787 ( -1.460 12.119 0.000) 12.206 2.870 ( -0.806 12.165 0.000) 12.192 2.874 ( -1.321 17.225 0.000) 17.276 2.963 ( 14.354 3.296 0.000) 14.727 3.057 ( -0.180 12.556 0.000) 12.558 3.183 ( -0.293 21.462 0.000) 21.464 3.256 ( 7.529 16.552 0.000) 18.184 3.316 ( -0.455 0.388 0.000) 0.598 3.479 ( -4.580 18.293 0.000) 18.857 3.677 ( -2.487 28.022 0.000) 28.132 3.762 ( -12.021 20.855 0.000) 24.071 4.030 ( 5.070 17.336 0.000) 18.062 4.037 ( -9.619 0.276 0.000) 9.623 4.127 ( 6.785 10.808 0.000) 12.761 4.138 ( -16.168 -1.830 0.000) 16.271 4.675 ( 5.776 1.034 0.000) 5.868 4.737 ( -9.645 -2.322 0.000) 9.920 4.819 ( 5.214 0.892 0.000) 5.290 4.835 ( -5.916 -4.474 0.000) 7.417 5.061 ( 2.754 -4.027 0.000) 4.879 5.122 ( -2.504 -3.558 0.000) 4.351 5.467 ( 6.885 -6.556 0.000) 9.507 5.544 ( 2.953 -2.235 0.000) 3.703 6.044 ( -2.951 2.537 0.000) 3.892 6.275 ( 7.886 -1.046 0.000) 7.955 6.389 ( -14.157 -0.188 0.000) 14.159 6.754 ( -1.921 -3.572 0.000) 4.055 7.356 ( 9.872 -2.983 0.000) 10.313 7.731 ( -2.454 -8.699 0.000) 9.038 7.772 ( 0.825 -5.073 0.000) 5.140 7.808 ( 1.183 -3.676 0.000) 3.862 8.259 ( 3.255 4.868 0.000) 5.856 8.284 ( 3.708 1.785 0.000) 4.115 8.489 ( -1.411 19.001 0.000) 19.053 8.612 ( -4.427 7.285 0.000) 8.524 9.092 ( 1.240 15.848 0.000) 15.897 9.138 ( 3.414 12.620 0.000) 13.073 9.307 ( 12.905 3.377 0.000) 13.340 9.522 ( -0.791 8.420 0.000) 8.457 9.528 ( 0.636 0.685 0.000) 0.935 9.717 ( 3.786 5.868 0.000) 6.983 9.731 ( -3.122 0.307 0.000) 3.137 9.880 ( -7.631 13.434 0.000) 15.451 9.972 ( 4.876 -11.855 0.000) 12.819 10.023 ( -3.094 -3.650 0.000) 4.785 10.495 ( 15.285 3.785 0.000) 15.746 10.639 ( 3.078 5.149 0.000) 5.998 10.738 ( -1.303 -1.296 0.000) 1.838 10.792 ( -1.458 -1.690 0.000) 2.232 11.131 ( -4.764 3.633 0.000) 5.991 11.253 ( -3.868 -2.120 0.000) 4.411 11.377 ( -2.944 8.231 0.000) 8.742 11.427 ( 0.582 -0.863 0.000) 1.041 11.446 ( 3.294 -0.469 0.000) 3.327 11.596 ( -5.700 4.487 0.000) 7.254 11.775 ( -8.747 1.267 0.000) 8.838 12.143 ( -20.446 5.714 0.000) 21.229 12.466 ( 5.592 2.311 0.000) 6.051 12.579 ( -0.301 0.333 0.000) 0.449 13.066 ( 1.424 -12.486 0.000) 12.567 13.370 ( -9.023 -9.189 0.000) 12.878 13.574 ( 2.376 -16.622 0.000) 16.791 13.625 ( 2.899 -10.813 0.000) 11.195 15.497 ( -0.537 -5.649 0.000) 5.674 15.585 ( -0.844 -4.979 0.000) 5.050 15.649 ( 2.799 -9.885 0.000) 10.274 15.740 ( 1.763 -5.105 0.000) 5.401 16.434 ( -0.639 -13.012 0.000) 13.028 16.455 ( -1.233 -15.095 0.000) 15.145 16.536 ( 2.312 -14.322 0.000) 14.508 16.648 ( 0.947 -14.218 0.000) 14.250 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 14.013 16.298 0.000) 21.494 1.464 ( 18.717 14.143 0.000) 23.460 1.776 ( -15.663 11.901 0.000) 19.671 1.891 ( -20.429 12.503 0.000) 23.951 2.259 ( 4.892 6.689 0.000) 8.287 2.297 ( 1.773 4.348 0.000) 4.696 2.386 ( 1.715 15.517 0.000) 15.612 2.398 ( 0.297 13.003 0.000) 13.006 2.531 ( 11.343 12.369 0.000) 16.782 2.600 ( 5.771 20.869 0.000) 21.652 2.676 ( -5.691 17.883 0.000) 18.767 2.746 ( -6.131 8.160 0.000) 10.207 2.779 ( -0.110 6.738 0.000) 6.739 2.815 ( -0.009 15.283 0.000) 15.283 2.864 ( 11.209 32.199 0.000) 34.094 2.918 ( 5.170 19.080 0.000) 19.768 3.031 ( -4.454 13.474 0.000) 14.191 3.098 ( -0.434 18.715 0.000) 18.720 3.212 ( 1.119 16.269 0.000) 16.308 3.283 ( -10.661 21.221 0.000) 23.748 3.435 ( 8.884 7.185 0.000) 11.426 3.468 ( 15.489 0.163 0.000) 15.490 3.603 ( -5.549 22.906 0.000) 23.568 3.619 ( 0.038 26.454 0.000) 26.454 3.798 ( -14.535 -0.266 0.000) 14.538 3.804 ( -15.760 3.785 0.000) 16.208 4.174 ( 8.536 14.689 0.000) 16.988 4.260 ( 3.842 10.320 0.000) 11.012 4.534 ( -6.756 3.847 0.000) 7.774 4.596 ( -8.741 3.776 0.000) 9.521 4.863 ( 4.037 -5.722 0.000) 7.002 4.894 ( 1.231 -3.561 0.000) 3.768 5.090 ( 0.589 -3.985 0.000) 4.029 5.096 ( -0.448 -4.036 0.000) 4.061 5.570 ( 3.264 -6.323 0.000) 7.116 5.589 ( 1.100 -4.572 0.000) 4.702 6.041 ( 2.929 3.594 0.000) 4.636 6.158 ( -9.212 2.591 0.000) 9.570 6.446 ( 9.707 -2.440 0.000) 10.009 6.633 ( -9.060 -3.048 0.000) 9.559 7.553 ( 9.017 -8.517 0.000) 12.404 7.676 ( -3.921 -9.691 0.000) 10.455 7.799 ( 1.632 -3.130 0.000) 3.529 7.819 ( -0.187 -2.596 0.000) 2.603 8.290 ( 0.248 8.632 0.000) 8.635 8.300 ( -0.982 6.601 0.000) 6.674 8.492 ( 1.277 14.129 0.000) 14.186 8.532 ( -3.232 10.526 0.000) 11.011 9.159 ( 4.997 11.838 0.000) 12.849 9.212 ( 1.473 14.732 0.000) 14.805 9.506 ( 4.530 6.219 0.000) 7.694 9.567 ( 1.802 4.003 0.000) 4.390 9.599 ( 8.517 4.892 0.000) 9.822 9.676 ( 0.806 3.414 0.000) 3.508 9.686 ( -9.154 11.076 0.000) 14.369 9.764 ( -1.269 8.538 0.000) 8.632 10.018 ( 1.385 -3.726 0.000) 3.975 10.038 ( 0.613 -9.940 0.000) 9.959 10.703 ( 2.473 8.135 0.000) 8.503 10.704 ( 4.235 -3.231 0.000) 5.327 10.714 ( -0.150 -9.048 0.000) 9.050 10.744 ( -3.130 1.074 0.000) 3.309 11.161 ( 7.940 -2.002 0.000) 8.189 11.224 ( 0.229 -5.392 0.000) 5.396 11.319 ( -1.586 2.664 0.000) 3.100 11.373 ( -5.604 0.262 0.000) 5.610 11.469 ( 1.498 6.255 0.000) 6.432 11.548 ( 1.745 5.055 0.000) 5.348 11.600 ( -6.437 5.247 0.000) 8.305 11.726 ( -20.583 8.712 0.000) 22.351 12.567 ( 3.848 4.954 0.000) 6.273 12.593 ( 0.848 3.958 0.000) 4.048 13.102 ( 2.962 -12.623 0.000) 12.965 13.203 ( -7.524 -11.602 0.000) 13.828 13.623 ( 2.224 -15.145 0.000) 15.307 13.649 ( -0.272 -12.988 0.000) 12.990 15.510 ( 1.872 -4.225 0.000) 4.621 15.555 ( -2.289 -4.032 0.000) 4.636 15.707 ( 2.867 -9.144 0.000) 9.583 15.748 ( -1.052 -7.508 0.000) 7.581 16.428 ( 0.058 -14.221 0.000) 14.221 16.436 ( -0.701 -14.862 0.000) 14.879 16.592 ( 3.241 -13.621 0.000) 14.001 16.643 ( -1.628 -13.602 0.000) 13.699 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.000 20.864 0.000) 20.864 1.603 ( 0.000 20.370 0.000) 20.370 2.191 ( 0.000 5.507 0.000) 5.507 2.197 ( 0.000 2.989 0.000) 2.989 2.323 ( 0.000 5.211 0.000) 5.211 2.493 ( 0.000 7.743 0.000) 7.743 2.562 ( 0.000 3.920 0.000) 3.920 2.621 ( 0.000 1.585 0.000) 1.585 2.673 ( 0.000 9.091 0.000) 9.091 2.687 ( 0.000 -0.091 0.000) 0.091 2.826 ( 0.000 15.100 0.000) 15.100 3.105 ( 0.000 13.636 0.000) 13.636 3.115 ( 0.000 8.483 0.000) 8.483 3.116 ( 0.000 18.436 0.000) 18.436 3.262 ( 0.000 17.813 0.000) 17.813 3.265 ( 0.000 19.542 0.000) 19.542 3.318 ( 0.000 13.062 0.000) 13.062 3.344 ( 0.000 12.897 0.000) 12.897 3.409 ( 0.000 36.905 0.000) 36.905 3.536 ( 0.000 16.386 0.000) 16.386 3.635 ( 0.000 17.758 0.000) 17.758 3.896 ( 0.000 12.142 0.000) 12.142 4.065 ( 0.000 8.244 0.000) 8.244 4.267 ( 0.000 -2.223 0.000) 2.223 4.332 ( 0.000 29.556 0.000) 29.556 4.366 ( 0.000 17.583 0.000) 17.583 4.441 ( 0.000 24.061 0.000) 24.061 4.446 ( 0.000 21.553 0.000) 21.553 4.500 ( 0.000 -3.775 0.000) 3.775 4.714 ( 0.000 -5.484 0.000) 5.484 4.909 ( 0.000 12.372 0.000) 12.372 4.910 ( 0.000 -1.618 0.000) 1.618 4.928 ( 0.000 0.681 0.000) 0.681 5.155 ( 0.000 2.062 0.000) 2.062 5.222 ( 0.000 -7.018 0.000) 7.018 5.479 ( 0.000 -1.165 0.000) 1.165 6.155 ( 0.000 3.509 0.000) 3.509 6.206 ( 0.000 3.580 0.000) 3.580 6.562 ( 0.000 -3.424 0.000) 3.424 6.646 ( 0.000 0.568 0.000) 0.568 7.280 ( 0.000 0.743 0.000) 0.743 7.447 ( 0.000 -16.121 0.000) 16.121 7.636 ( 0.000 -6.686 0.000) 6.686 7.758 ( 0.000 -3.779 0.000) 3.779 8.275 ( 0.000 4.621 0.000) 4.621 8.293 ( 0.000 3.959 0.000) 3.959 8.750 ( 0.000 1.716 0.000) 1.716 8.822 ( 0.000 9.671 0.000) 9.671 9.162 ( 0.000 1.463 0.000) 1.463 9.184 ( 0.000 -4.387 0.000) 4.387 9.239 ( 0.000 -10.952 0.000) 10.952 9.474 ( 0.000 2.142 0.000) 2.142 9.644 ( 0.000 -6.919 0.000) 6.919 9.728 ( 0.000 -3.495 0.000) 3.495 9.783 ( 0.000 1.084 0.000) 1.084 9.826 ( 0.000 4.848 0.000) 4.848 9.933 ( 0.000 9.528 0.000) 9.528 10.116 ( 0.000 8.350 0.000) 8.350 10.685 ( 0.000 22.114 0.000) 22.114 10.732 ( 0.000 2.975 0.000) 2.975 10.924 ( 0.000 9.411 0.000) 9.411 11.005 ( 0.000 16.593 0.000) 16.593 11.267 ( 0.000 -5.606 0.000) 5.606 11.349 ( 0.000 8.712 0.000) 8.712 11.364 ( 0.000 0.682 0.000) 0.682 11.473 ( 0.000 11.030 0.000) 11.030 11.581 ( 0.000 4.829 0.000) 4.829 11.736 ( 0.000 2.331 0.000) 2.331 11.833 ( 0.000 -0.836 0.000) 0.836 12.306 ( 0.000 -10.573 0.000) 10.573 12.382 ( 0.000 -2.624 0.000) 2.624 12.554 ( 0.000 -2.464 0.000) 2.464 12.721 ( 0.000 -16.665 0.000) 16.665 13.207 ( 0.000 -14.350 0.000) 14.350 13.287 ( 0.000 -11.609 0.000) 11.609 13.305 ( 0.000 -14.595 0.000) 14.595 15.321 ( 0.000 -10.055 0.000) 10.055 15.416 ( 0.000 -8.814 0.000) 8.814 15.484 ( 0.000 -4.381 0.000) 4.381 15.651 ( 0.000 -3.561 0.000) 3.561 16.126 ( 0.000 -17.643 0.000) 17.643 16.172 ( 0.000 -13.540 0.000) 13.540 16.193 ( 0.000 -15.085 0.000) 15.085 16.297 ( 0.000 -16.795 0.000) 16.795 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 4.992 19.505 0.000) 20.133 1.650 ( 4.772 18.856 0.000) 19.451 2.194 ( -3.384 5.635 0.000) 6.573 2.235 ( 4.143 2.643 0.000) 4.915 2.305 ( -1.654 3.522 0.000) 3.891 2.427 ( -13.438 5.321 0.000) 14.453 2.477 ( 4.636 8.694 0.000) 9.853 2.621 ( 1.846 7.393 0.000) 7.620 2.695 ( 0.874 10.030 0.000) 10.068 2.773 ( 5.515 3.453 0.000) 6.507 2.907 ( 3.456 5.550 0.000) 6.538 2.990 ( -4.328 7.331 0.000) 8.513 3.173 ( 0.387 14.035 0.000) 14.040 3.199 ( 5.897 9.595 0.000) 11.263 3.204 ( -2.334 14.598 0.000) 14.784 3.208 ( -1.067 20.780 0.000) 20.808 3.323 ( -0.109 18.144 0.000) 18.144 3.372 ( 1.581 13.273 0.000) 13.367 3.466 ( 5.804 36.726 0.000) 37.182 3.602 ( -2.539 18.439 0.000) 18.613 3.624 ( 4.679 13.841 0.000) 14.611 3.863 ( -2.420 15.737 0.000) 15.922 3.994 ( -6.026 6.554 0.000) 8.903 4.079 ( -14.815 -0.604 0.000) 14.827 4.292 ( -2.817 27.890 0.000) 28.032 4.350 ( -7.870 25.377 0.000) 26.569 4.421 ( 4.396 16.764 0.000) 17.330 4.467 ( 3.556 18.465 0.000) 18.804 4.648 ( 7.599 -1.232 0.000) 7.698 4.696 ( -1.851 -0.898 0.000) 2.058 4.843 ( -3.800 6.137 0.000) 7.218 4.942 ( 2.364 11.489 0.000) 11.729 4.976 ( 2.422 -2.628 0.000) 3.574 5.076 ( -4.738 1.345 0.000) 4.925 5.312 ( 5.852 -7.911 0.000) 9.840 5.483 ( 0.179 -2.865 0.000) 2.871 6.128 ( -0.875 5.554 0.000) 5.622 6.277 ( 5.718 1.374 0.000) 5.881 6.405 ( -10.008 1.694 0.000) 10.151 6.687 ( -1.633 -2.781 0.000) 3.225 7.305 ( 2.973 -2.304 0.000) 3.761 7.445 ( -0.222 -14.989 0.000) 14.991 7.658 ( 2.379 -5.729 0.000) 6.203 7.766 ( 0.537 -3.835 0.000) 3.873 8.317 ( 1.968 1.703 0.000) 2.602 8.360 ( 6.741 5.286 0.000) 8.566 8.689 ( -5.011 0.472 0.000) 5.033 8.774 ( -3.720 9.260 0.000) 9.980 9.224 ( 0.235 -5.385 0.000) 5.390 9.261 ( 10.003 0.087 0.000) 10.003 9.325 ( 11.956 -1.035 0.000) 12.001 9.523 ( 4.412 -0.388 0.000) 4.429 9.666 ( -4.856 -1.446 0.000) 5.067 9.742 ( 7.074 -7.793 0.000) 10.525 9.761 ( -1.976 2.765 0.000) 3.399 9.863 ( 4.130 6.871 0.000) 8.017 9.984 ( 4.513 8.001 0.000) 9.186 10.086 ( -3.382 10.371 0.000) 10.908 10.618 ( -9.081 -2.876 0.000) 9.526 10.741 ( 0.505 14.690 0.000) 14.698 10.885 ( 0.044 9.109 0.000) 9.109 11.008 ( -0.277 16.607 0.000) 16.609 11.209 ( -5.263 -5.350 0.000) 7.505 11.211 ( -6.842 4.717 0.000) 8.310 11.435 ( -4.900 -0.614 0.000) 4.939 11.491 ( 0.834 10.709 0.000) 10.741 11.523 ( 2.561 6.626 0.000) 7.104 11.742 ( -0.099 8.797 0.000) 8.798 11.810 ( -3.049 1.846 0.000) 3.564 12.236 ( -15.218 3.783 0.000) 15.681 12.404 ( 8.540 -9.895 0.000) 13.071 12.514 ( 1.793 -8.140 0.000) 8.335 12.775 ( 1.803 -14.034 0.000) 14.150 13.136 ( -10.297 -12.250 0.000) 16.003 13.231 ( 2.292 -15.090 0.000) 15.263 13.358 ( 0.740 -14.730 0.000) 14.748 15.341 ( 2.009 -8.815 0.000) 9.041 15.440 ( 2.160 -9.669 0.000) 9.908 15.492 ( 0.543 -3.657 0.000) 3.697 15.639 ( -1.334 -4.710 0.000) 4.895 16.112 ( -1.051 -17.407 0.000) 17.439 16.139 ( -2.350 -14.971 0.000) 15.155 16.225 ( 3.067 -14.859 0.000) 15.172 16.331 ( 2.090 -15.624 0.000) 15.763 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 10.845 14.170 0.000) 17.844 1.776 ( 7.497 14.679 0.000) 16.482 2.027 ( -8.820 11.563 0.000) 14.543 2.121 ( -16.016 9.911 0.000) 18.834 2.347 ( 5.298 3.199 0.000) 6.189 2.361 ( 3.651 2.312 0.000) 4.321 2.568 ( 0.935 5.003 0.000) 5.089 2.584 ( -3.119 3.784 0.000) 4.903 2.753 ( 6.601 10.641 0.000) 12.522 2.855 ( -0.357 6.020 0.000) 6.030 2.937 ( 1.623 7.445 0.000) 7.620 2.975 ( 0.616 10.139 0.000) 10.158 3.072 ( -4.239 16.176 0.000) 16.723 3.111 ( -4.882 15.518 0.000) 16.268 3.291 ( 5.396 6.189 0.000) 8.211 3.354 ( -0.921 16.595 0.000) 16.621 3.355 ( 6.117 18.335 0.000) 19.329 3.432 ( 7.600 5.338 0.000) 9.287 3.544 ( -0.588 9.880 0.000) 9.897 3.620 ( -3.918 5.831 0.000) 7.025 3.627 ( 5.728 28.977 0.000) 29.537 3.758 ( -9.061 18.821 0.000) 20.889 3.842 ( -4.129 13.998 0.000) 14.595 3.923 ( -3.558 17.120 0.000) 17.486 4.196 ( -4.300 27.747 0.000) 28.078 4.222 ( -4.033 26.139 0.000) 26.448 4.532 ( 6.527 9.270 0.000) 11.337 4.553 ( 4.703 12.967 0.000) 13.794 4.644 ( -3.488 10.963 0.000) 11.505 4.665 ( -5.316 7.751 0.000) 9.399 4.852 ( 4.552 6.009 0.000) 7.538 4.939 ( -3.542 9.207 0.000) 9.864 5.013 ( 1.290 -0.931 0.000) 1.591 5.023 ( -0.281 -0.516 0.000) 0.588 5.414 ( 4.381 -8.369 0.000) 9.446 5.472 ( -1.656 -6.148 0.000) 6.367 6.145 ( 2.747 6.289 0.000) 6.863 6.238 ( -6.923 4.931 0.000) 8.499 6.413 ( 8.207 -0.752 0.000) 8.241 6.578 ( -8.214 -2.334 0.000) 8.540 7.379 ( 3.841 -7.973 0.000) 8.850 7.431 ( -1.490 -12.302 0.000) 12.392 7.718 ( 3.266 -4.856 0.000) 5.852 7.764 ( -1.154 -4.215 0.000) 4.370 8.360 ( 2.752 1.177 0.000) 2.993 8.420 ( -1.984 4.767 0.000) 5.164 8.646 ( 1.981 1.876 0.000) 2.728 8.707 ( -3.313 7.140 0.000) 7.871 9.285 ( 5.807 -1.215 0.000) 5.932 9.394 ( -2.143 -0.275 0.000) 2.161 9.557 ( 11.384 -0.521 0.000) 11.396 9.605 ( 3.471 0.206 0.000) 3.477 9.663 ( 3.388 0.985 0.000) 3.528 9.753 ( 5.884 4.820 0.000) 7.606 9.787 ( -5.297 -3.408 0.000) 6.299 9.912 ( -4.616 4.773 0.000) 6.640 10.041 ( 3.165 14.697 0.000) 15.034 10.066 ( 2.577 9.414 0.000) 9.760 10.496 ( -1.374 -10.255 0.000) 10.347 10.595 ( -10.084 -3.540 0.000) 10.688 10.978 ( 3.405 13.207 0.000) 13.638 10.998 ( -0.390 15.057 0.000) 15.062 11.104 ( -3.858 -7.486 0.000) 8.421 11.109 ( -3.671 -2.194 0.000) 4.277 11.367 ( 3.087 4.137 0.000) 5.162 11.473 ( -3.652 10.012 0.000) 10.657 11.619 ( 5.371 7.296 0.000) 9.060 11.721 ( -5.335 6.267 0.000) 8.230 11.752 ( 2.498 13.316 0.000) 13.549 11.913 ( -14.929 9.565 0.000) 17.730 12.570 ( 7.396 -7.030 0.000) 10.204 12.613 ( 5.090 -3.236 0.000) 6.032 12.778 ( 0.889 -17.822 0.000) 17.844 12.920 ( -11.289 -13.999 0.000) 17.984 13.285 ( 3.072 -16.025 0.000) 16.317 13.340 ( -2.257 -15.883 0.000) 16.042 15.394 ( 3.240 -6.981 0.000) 7.697 15.450 ( -1.938 -7.255 0.000) 7.510 15.529 ( 3.612 -6.100 0.000) 7.089 15.597 ( -3.008 -6.328 0.000) 7.007 16.097 ( -0.331 -17.222 0.000) 17.225 16.104 ( -1.112 -16.501 0.000) 16.539 16.295 ( 3.633 -14.331 0.000) 14.784 16.344 ( -1.037 -14.598 0.000) 14.634 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.000 15.013 0.000) 15.013 1.965 ( 0.000 14.644 0.000) 14.644 2.256 ( 0.000 2.906 0.000) 2.906 2.294 ( 0.000 4.114 0.000) 4.114 2.418 ( 0.000 3.508 0.000) 3.508 2.540 ( 0.000 -2.580 0.000) 2.580 2.662 ( 0.000 9.311 0.000) 9.311 2.671 ( 0.000 1.239 0.000) 1.239 2.690 ( 0.000 0.836 0.000) 0.836 2.873 ( 0.000 10.400 0.000) 10.400 3.130 ( 0.000 14.521 0.000) 14.521 3.188 ( 0.000 -1.007 0.000) 1.007 3.230 ( 0.000 3.210 0.000) 3.210 3.265 ( 0.000 3.796 0.000) 3.796 3.497 ( 0.000 4.956 0.000) 4.956 3.589 ( 0.000 12.761 0.000) 12.761 3.680 ( 0.000 16.543 0.000) 16.543 3.697 ( 0.000 12.884 0.000) 12.884 3.747 ( 0.000 3.644 0.000) 3.644 3.889 ( 0.000 12.864 0.000) 12.864 4.048 ( 0.000 7.066 0.000) 7.066 4.184 ( 0.000 -3.808 0.000) 3.808 4.239 ( 0.000 24.908 0.000) 24.908 4.311 ( 0.000 10.102 0.000) 10.102 4.400 ( 0.000 3.839 0.000) 3.839 4.595 ( 0.000 -4.560 0.000) 4.560 4.631 ( 0.000 -2.209 0.000) 2.209 4.709 ( 0.000 10.668 0.000) 10.668 4.930 ( 0.000 22.281 0.000) 22.281 4.949 ( 0.000 -0.878 0.000) 0.878 4.954 ( 0.000 27.537 0.000) 27.537 5.067 ( 0.000 1.345 0.000) 1.345 5.133 ( 0.000 22.009 0.000) 22.009 5.325 ( 0.000 20.457 0.000) 20.457 5.340 ( 0.000 16.160 0.000) 16.160 5.536 ( 0.000 8.461 0.000) 8.461 6.258 ( 0.000 6.064 0.000) 6.064 6.301 ( 0.000 5.342 0.000) 5.342 6.523 ( 0.000 -0.629 0.000) 0.629 6.662 ( 0.000 0.693 0.000) 0.693 7.157 ( 0.000 -11.014 0.000) 11.014 7.261 ( 0.000 -2.821 0.000) 2.821 7.496 ( 0.000 -6.845 0.000) 6.845 7.622 ( 0.000 -8.925 0.000) 8.925 8.360 ( 0.000 2.471 0.000) 2.471 8.389 ( 0.000 6.010 0.000) 6.010 8.747 ( 0.000 -1.428 0.000) 1.428 8.950 ( 0.000 3.398 0.000) 3.398 8.979 ( 0.000 -8.808 0.000) 8.808 9.135 ( 0.000 1.275 0.000) 1.275 9.187 ( 0.000 0.979 0.000) 0.979 9.459 ( 0.000 -8.893 0.000) 8.893 9.468 ( 0.000 -3.812 0.000) 3.812 9.594 ( 0.000 -4.737 0.000) 4.737 9.779 ( 0.000 -0.597 0.000) 0.597 10.003 ( 0.000 10.384 0.000) 10.384 10.236 ( 0.000 13.862 0.000) 13.862 10.362 ( 0.000 14.406 0.000) 14.406 10.674 ( 0.000 -9.223 0.000) 9.223 11.083 ( 0.000 4.478 0.000) 4.478 11.111 ( 0.000 17.194 0.000) 17.194 11.119 ( 0.000 -7.958 0.000) 7.958 11.205 ( 0.000 3.515 0.000) 3.515 11.397 ( 0.000 1.186 0.000) 1.186 11.560 ( 0.000 10.862 0.000) 10.862 11.566 ( 0.000 -8.406 0.000) 8.406 11.765 ( 0.000 7.381 0.000) 7.381 11.789 ( 0.000 3.693 0.000) 3.693 11.802 ( 0.000 -2.873 0.000) 2.873 12.020 ( 0.000 -12.087 0.000) 12.087 12.263 ( 0.000 -4.398 0.000) 4.398 12.483 ( 0.000 -4.529 0.000) 4.529 12.489 ( 0.000 -2.753 0.000) 2.753 12.927 ( 0.000 -21.255 0.000) 21.255 12.986 ( 0.000 -7.686 0.000) 7.686 13.066 ( 0.000 -10.779 0.000) 10.779 15.132 ( 0.000 -7.396 0.000) 7.396 15.271 ( 0.000 -5.076 0.000) 5.076 15.431 ( 0.000 -0.654 0.000) 0.654 15.566 ( 0.000 -4.696 0.000) 4.696 15.775 ( 0.000 -15.577 0.000) 15.577 15.912 ( 0.000 -11.146 0.000) 11.146 15.921 ( 0.000 -10.640 0.000) 10.640 15.974 ( 0.000 -13.748 0.000) 13.748 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 2.898 14.898 0.000) 15.177 1.987 ( 2.180 13.712 0.000) 13.885 2.281 ( 2.886 2.046 0.000) 3.537 2.295 ( -0.911 4.021 0.000) 4.122 2.368 ( -2.599 2.586 0.000) 3.666 2.483 ( -6.380 0.396 0.000) 6.392 2.654 ( 1.195 7.920 0.000) 8.010 2.690 ( -0.252 0.644 0.000) 0.692 2.806 ( 7.946 1.784 0.000) 8.144 2.903 ( 4.027 8.856 0.000) 9.729 3.051 ( -4.340 9.302 0.000) 10.264 3.108 ( -4.111 4.472 0.000) 6.074 3.275 ( 5.063 2.642 0.000) 5.711 3.305 ( 1.264 3.667 0.000) 3.879 3.510 ( -7.385 9.840 0.000) 12.303 3.549 ( -2.827 11.487 0.000) 11.830 3.645 ( 2.256 9.618 0.000) 9.879 3.688 ( -2.279 10.435 0.000) 10.681 3.764 ( 0.850 2.869 0.000) 2.992 3.857 ( -2.633 14.173 0.000) 14.415 4.045 ( -8.350 4.051 0.000) 9.281 4.084 ( 3.962 9.455 0.000) 10.252 4.228 ( -7.019 12.067 0.000) 13.960 4.302 ( 3.053 19.784 0.000) 20.019 4.435 ( 3.170 4.118 0.000) 5.197 4.600 ( 0.056 -3.966 0.000) 3.967 4.725 ( 7.565 -3.012 0.000) 8.142 4.769 ( 5.087 9.778 0.000) 11.022 4.826 ( -6.019 14.065 0.000) 15.299 4.882 ( -4.892 23.320 0.000) 23.828 5.074 ( 5.644 12.499 0.000) 13.714 5.102 ( 3.124 0.664 0.000) 3.194 5.132 ( 0.058 22.905 0.000) 22.905 5.311 ( -3.082 17.070 0.000) 17.346 5.340 ( 1.668 19.614 0.000) 19.685 5.516 ( -2.052 8.729 0.000) 8.966 6.263 ( 0.689 7.064 0.000) 7.097 6.331 ( 3.037 3.726 0.000) 4.807 6.452 ( -5.527 2.663 0.000) 6.135 6.644 ( -3.167 -1.438 0.000) 3.478 7.172 ( 1.436 -10.556 0.000) 10.653 7.245 ( -0.998 -3.763 0.000) 3.893 7.536 ( 3.358 -6.216 0.000) 7.065 7.632 ( 0.821 -8.612 0.000) 8.651 8.357 ( 0.358 2.402 0.000) 2.428 8.473 ( 7.619 5.301 0.000) 9.281 8.673 ( -6.464 -0.404 0.000) 6.477 8.919 ( -3.380 5.416 0.000) 6.384 9.034 ( 5.475 -8.824 0.000) 10.384 9.223 ( 8.326 -1.707 0.000) 8.500 9.296 ( 8.475 -2.333 0.000) 8.790 9.494 ( 4.769 -2.574 0.000) 5.419 9.582 ( 8.398 -8.555 0.000) 11.988 9.589 ( 1.213 -2.300 0.000) 2.600 9.796 ( 1.681 1.299 0.000) 2.124 10.025 ( 2.114 8.831 0.000) 9.081 10.246 ( 1.353 12.636 0.000) 12.708 10.364 ( 0.108 15.367 0.000) 15.367 10.505 ( -13.663 -8.218 0.000) 15.944 10.878 ( -17.110 -0.741 0.000) 17.126 11.018 ( -9.025 -11.474 0.000) 14.598 11.134 ( -2.463 9.260 0.000) 9.582 11.267 ( 3.031 7.856 0.000) 8.420 11.320 ( -3.482 6.311 0.000) 7.208 11.445 ( -4.122 2.119 0.000) 4.635 11.691 ( 5.356 9.527 0.000) 10.929 11.739 ( -0.255 2.923 0.000) 2.934 11.844 ( 0.798 1.952 0.000) 2.109 11.888 ( 7.622 1.402 0.000) 7.750 12.101 ( 7.805 -12.957 0.000) 15.126 12.286 ( 2.451 -7.772 0.000) 8.149 12.319 ( -9.914 4.755 0.000) 10.995 12.526 ( -1.338 -9.706 0.000) 9.798 12.835 ( -8.525 -18.446 0.000) 20.321 12.994 ( 0.830 -8.356 0.000) 8.397 13.069 ( -0.310 -12.313 0.000) 12.317 15.171 ( 3.648 -6.785 0.000) 7.704 15.275 ( 0.640 -6.036 0.000) 6.070 15.445 ( 0.815 -0.921 0.000) 1.230 15.538 ( -2.459 -5.310 0.000) 5.852 15.769 ( -0.610 -15.061 0.000) 15.074 15.851 ( -3.862 -11.932 0.000) 12.541 15.956 ( 3.393 -10.666 0.000) 11.193 16.035 ( 3.446 -12.557 0.000) 13.021 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 4.219 11.856 0.000) 12.584 2.040 ( 2.771 10.924 0.000) 11.270 2.228 ( -2.847 7.635 0.000) 8.149 2.286 ( -6.652 5.627 0.000) 8.713 2.400 ( 3.456 1.580 0.000) 3.800 2.405 ( 2.770 2.524 0.000) 3.748 2.618 ( -3.812 0.453 0.000) 3.839 2.638 ( -3.617 2.035 0.000) 4.150 2.974 ( 9.143 6.141 0.000) 11.014 3.019 ( 1.522 7.256 0.000) 7.414 3.024 ( 3.649 10.249 0.000) 10.879 3.092 ( 0.215 2.166 0.000) 2.177 3.300 ( -4.808 5.221 0.000) 7.098 3.305 ( -2.342 3.360 0.000) 4.096 3.376 ( 2.370 4.209 0.000) 4.830 3.521 ( -5.737 4.011 0.000) 7.000 3.593 ( -0.671 5.440 0.000) 5.481 3.650 ( -2.001 4.233 0.000) 4.682 3.776 ( 0.197 14.234 0.000) 14.235 3.804 ( -2.683 16.833 0.000) 17.046 3.977 ( 1.973 13.079 0.000) 13.227 4.074 ( -6.930 14.012 0.000) 15.632 4.214 ( 7.212 6.021 0.000) 9.395 4.318 ( -2.368 7.231 0.000) 7.609 4.521 ( 5.631 11.820 0.000) 13.093 4.595 ( -1.065 -0.384 0.000) 1.132 4.727 ( -2.932 13.741 0.000) 14.050 4.756 ( -5.833 25.362 0.000) 26.024 4.856 ( 4.144 0.661 0.000) 4.196 4.863 ( 2.895 5.568 0.000) 6.276 5.144 ( 2.131 25.897 0.000) 25.985 5.158 ( 1.793 3.874 0.000) 4.269 5.160 ( 2.596 7.119 0.000) 7.577 5.228 ( -4.930 19.329 0.000) 19.948 5.390 ( 3.356 15.740 0.000) 16.094 5.460 ( -3.548 10.736 0.000) 11.307 6.290 ( 2.257 7.483 0.000) 7.816 6.353 ( -4.337 6.009 0.000) 7.411 6.416 ( 5.708 1.097 0.000) 5.813 6.541 ( -6.663 -1.168 0.000) 6.765 7.204 ( 1.639 -9.126 0.000) 9.272 7.229 ( -0.894 -6.546 0.000) 6.606 7.602 ( 2.963 -6.343 0.000) 7.000 7.638 ( -0.632 -7.634 0.000) 7.660 8.396 ( 3.986 2.990 0.000) 4.982 8.505 ( -6.465 4.005 0.000) 7.605 8.674 ( 8.470 1.758 0.000) 8.651 8.824 ( -6.437 4.800 0.000) 8.030 9.164 ( 7.200 -7.489 0.000) 10.389 9.281 ( -3.734 -6.797 0.000) 7.755 9.498 ( 12.669 -5.638 0.000) 13.866 9.609 ( 5.686 -0.004 0.000) 5.686 9.661 ( 1.705 0.076 0.000) 1.707 9.676 ( -2.234 -7.399 0.000) 7.729 9.892 ( 10.296 7.760 0.000) 12.893 10.055 ( -1.775 7.954 0.000) 8.150 10.286 ( 1.918 6.402 0.000) 6.683 10.291 ( -3.645 -8.534 0.000) 9.280 10.376 ( 0.877 16.433 0.000) 16.457 10.530 ( -16.269 -0.196 0.000) 16.271 10.858 ( -3.713 -14.217 0.000) 14.694 10.953 ( -11.389 -7.458 0.000) 13.614 11.294 ( 0.554 11.310 0.000) 11.324 11.310 ( -1.020 12.762 0.000) 12.803 11.483 ( 8.766 5.276 0.000) 10.231 11.677 ( -8.416 5.597 0.000) 10.107 11.780 ( 3.731 7.605 0.000) 8.471 11.827 ( -1.322 2.500 0.000) 2.828 12.014 ( 5.597 9.572 0.000) 11.088 12.133 ( -7.549 11.290 0.000) 13.581 12.281 ( 9.615 -15.485 0.000) 18.227 12.403 ( 6.016 -14.004 0.000) 15.242 12.456 ( -2.995 -12.408 0.000) 12.764 12.632 ( -11.675 -15.790 0.000) 19.637 13.017 ( 1.558 -9.973 0.000) 10.094 13.049 ( -1.571 -11.726 0.000) 11.830 15.249 ( 3.710 -6.160 0.000) 7.190 15.288 ( -0.080 -6.840 0.000) 6.840 15.455 ( 0.708 -2.371 0.000) 2.474 15.487 ( -2.492 -4.951 0.000) 5.543 15.761 ( 0.205 -14.207 0.000) 14.208 15.787 ( -2.489 -12.979 0.000) 13.215 16.031 ( 3.584 -10.783 0.000) 11.363 16.070 ( -0.118 -11.500 0.000) 11.501 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 9.741 0.000) 9.741 2.200 ( 0.000 7.890 0.000) 7.890 2.331 ( 0.000 4.832 0.000) 4.832 2.351 ( 0.000 1.510 0.000) 1.510 2.466 ( 0.000 1.523 0.000) 1.523 2.483 ( 0.000 -2.860 0.000) 2.860 2.672 ( 0.000 -0.992 0.000) 0.992 2.718 ( 0.000 1.317 0.000) 1.317 2.879 ( 0.000 11.231 0.000) 11.231 3.092 ( 0.000 10.195 0.000) 10.195 3.174 ( 0.000 0.225 0.000) 0.225 3.273 ( 0.000 1.779 0.000) 1.779 3.302 ( 0.000 0.207 0.000) 0.207 3.421 ( 0.000 13.286 0.000) 13.286 3.542 ( 0.000 0.686 0.000) 0.686 3.750 ( 0.000 2.668 0.000) 2.668 3.785 ( 0.000 -0.872 0.000) 0.872 3.790 ( 0.000 2.126 0.000) 2.126 3.888 ( 0.000 2.977 0.000) 2.977 4.077 ( 0.000 -4.000 0.000) 4.000 4.133 ( 0.000 -0.921 0.000) 0.921 4.137 ( 0.000 -10.155 0.000) 10.155 4.200 ( 0.000 14.364 0.000) 14.364 4.513 ( 0.000 -5.126 0.000) 5.126 4.533 ( 0.000 11.557 0.000) 11.557 4.572 ( 0.000 -1.434 0.000) 1.434 4.719 ( 0.000 -4.017 0.000) 4.017 4.726 ( 0.000 -1.729 0.000) 1.729 5.106 ( 0.000 24.143 0.000) 24.143 5.295 ( 0.000 15.404 0.000) 15.404 5.346 ( 0.000 17.288 0.000) 17.288 5.448 ( 0.000 19.658 0.000) 19.658 5.585 ( 0.000 19.919 0.000) 19.919 5.720 ( 0.000 18.120 0.000) 18.120 5.760 ( 0.000 19.592 0.000) 19.592 5.789 ( 0.000 13.529 0.000) 13.529 6.387 ( 0.000 5.868 0.000) 5.868 6.406 ( 0.000 4.204 0.000) 4.204 6.525 ( 0.000 0.651 0.000) 0.651 6.665 ( 0.000 -0.622 0.000) 0.622 7.021 ( 0.000 -1.757 0.000) 1.757 7.174 ( 0.000 -4.789 0.000) 4.789 7.351 ( 0.000 -7.255 0.000) 7.255 7.433 ( 0.000 -8.235 0.000) 8.235 8.413 ( 0.000 3.087 0.000) 3.087 8.506 ( 0.000 5.077 0.000) 5.077 8.708 ( 0.000 -2.162 0.000) 2.162 8.931 ( 0.000 3.294 0.000) 3.294 8.944 ( 0.000 -4.559 0.000) 4.559 9.225 ( 0.000 6.679 0.000) 6.679 9.234 ( 0.000 4.591 0.000) 4.591 9.310 ( 0.000 -5.137 0.000) 5.137 9.369 ( 0.000 -4.119 0.000) 4.119 9.549 ( 0.000 0.006 0.000) 0.006 9.809 ( 0.000 4.236 0.000) 4.236 10.218 ( 0.000 7.834 0.000) 7.834 10.383 ( 0.000 -15.382 0.000) 15.382 10.448 ( 0.000 5.745 0.000) 5.745 10.668 ( 0.000 14.266 0.000) 14.266 10.962 ( 0.000 -6.960 0.000) 6.960 11.036 ( 0.000 -27.601 0.000) 27.601 11.118 ( 0.000 0.691 0.000) 0.691 11.193 ( 0.000 -4.077 0.000) 4.077 11.373 ( 0.000 0.254 0.000) 0.254 11.533 ( 0.000 8.319 0.000) 8.319 11.557 ( 0.000 -18.910 0.000) 18.910 11.704 ( 0.000 -6.430 0.000) 6.430 11.743 ( 0.000 6.102 0.000) 6.102 11.913 ( 0.000 7.895 0.000) 7.895 11.925 ( 0.000 0.168 0.000) 0.168 12.367 ( 0.000 5.300 0.000) 5.300 12.471 ( 0.000 -21.582 0.000) 21.582 12.477 ( 0.000 1.619 0.000) 1.619 12.497 ( 0.000 6.296 0.000) 6.296 12.814 ( 0.000 -13.619 0.000) 13.619 12.844 ( 0.000 -6.967 0.000) 6.967 15.042 ( 0.000 -1.062 0.000) 1.062 15.203 ( 0.000 -1.776 0.000) 1.776 15.431 ( 0.000 -2.495 0.000) 2.495 15.457 ( 0.000 -5.820 0.000) 5.820 15.525 ( 0.000 -5.619 0.000) 5.619 15.728 ( 0.000 -6.475 0.000) 6.475 15.753 ( 0.000 -7.509 0.000) 7.509 15.760 ( 0.000 -5.215 0.000) 5.215 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 2.718 9.862 0.000) 10.230 2.213 ( 1.028 7.954 0.000) 8.020 2.331 ( 0.764 3.159 0.000) 3.250 2.353 ( -0.408 1.637 0.000) 1.687 2.419 ( -2.497 2.403 0.000) 3.465 2.467 ( -1.662 -1.450 0.000) 2.205 2.675 ( -1.231 -1.795 0.000) 2.176 2.753 ( -0.936 0.115 0.000) 0.943 2.862 ( 2.238 5.691 0.000) 6.115 3.098 ( 2.642 8.555 0.000) 8.954 3.190 ( -3.754 4.261 0.000) 5.679 3.231 ( 4.389 6.040 0.000) 7.466 3.366 ( 2.952 2.646 0.000) 3.964 3.370 ( -4.138 7.391 0.000) 8.471 3.593 ( -2.610 -0.384 0.000) 2.638 3.688 ( -3.723 2.600 0.000) 4.541 3.707 ( -5.614 -1.356 0.000) 5.775 3.774 ( -4.199 1.749 0.000) 4.548 3.826 ( 3.339 3.692 0.000) 4.978 4.103 ( 0.279 4.604 0.000) 4.613 4.143 ( -0.619 -1.370 0.000) 1.503 4.237 ( 9.428 1.420 0.000) 9.534 4.246 ( 3.625 5.866 0.000) 6.895 4.477 ( -5.000 10.091 0.000) 11.261 4.492 ( -2.503 -1.606 0.000) 2.974 4.590 ( 0.272 -4.341 0.000) 4.350 4.728 ( 1.560 -5.506 0.000) 5.723 4.736 ( 1.369 -7.056 0.000) 7.188 5.116 ( 1.232 24.270 0.000) 24.301 5.309 ( 0.006 15.681 0.000) 15.681 5.322 ( -1.206 17.429 0.000) 17.470 5.437 ( -1.208 17.628 0.000) 17.670 5.602 ( 1.632 20.585 0.000) 20.649 5.714 ( -0.677 19.096 0.000) 19.108 5.770 ( 0.873 19.397 0.000) 19.416 5.794 ( 0.455 14.884 0.000) 14.891 6.399 ( 1.374 5.585 0.000) 5.752 6.420 ( 1.368 4.516 0.000) 4.719 6.508 ( -1.540 2.578 0.000) 3.003 6.624 ( -3.855 -0.503 0.000) 3.888 7.036 ( 1.431 -2.334 0.000) 2.737 7.155 ( -1.661 -4.348 0.000) 4.654 7.396 ( 3.662 -7.433 0.000) 8.286 7.447 ( 1.247 -8.407 0.000) 8.499 8.425 ( 1.737 4.313 0.000) 4.650 8.562 ( 5.763 3.466 0.000) 6.725 8.720 ( -1.822 4.372 0.000) 4.736 8.915 ( 2.560 -2.405 0.000) 3.512 8.983 ( 1.919 -0.554 0.000) 1.998 9.216 ( 0.693 -0.288 0.000) 0.750 9.254 ( -0.108 1.806 0.000) 1.810 9.402 ( 6.224 -7.975 0.000) 10.116 9.441 ( 7.785 -2.146 0.000) 8.076 9.590 ( 5.155 1.746 0.000) 5.443 9.856 ( 4.986 4.804 0.000) 6.924 10.165 ( -6.702 -2.661 0.000) 7.211 10.328 ( -1.504 -1.785 0.000) 2.334 10.396 ( -6.483 -1.163 0.000) 6.587 10.677 ( 0.312 13.202 0.000) 13.206 10.796 ( -11.912 -4.948 0.000) 12.898 10.797 ( -13.242 -7.275 0.000) 15.109 11.173 ( -14.495 -3.455 0.000) 14.901 11.320 ( 6.713 -8.386 0.000) 10.742 11.330 ( 9.419 -2.228 0.000) 9.679 11.551 ( -0.167 7.676 0.000) 7.678 11.565 ( 1.620 -15.978 0.000) 16.060 11.714 ( 0.111 -10.029 0.000) 10.030 11.762 ( 3.240 -2.003 0.000) 3.809 11.887 ( 3.612 8.228 0.000) 8.986 12.106 ( 10.103 4.746 0.000) 11.162 12.322 ( -3.934 4.188 0.000) 5.747 12.406 ( -6.924 1.027 0.000) 7.000 12.416 ( -5.267 -19.956 0.000) 20.639 12.474 ( -2.410 7.259 0.000) 7.648 12.816 ( 0.181 -12.944 0.000) 12.945 12.837 ( -0.514 -7.592 0.000) 7.609 15.084 ( 3.891 -1.416 0.000) 4.140 15.191 ( -0.619 -2.220 0.000) 2.305 15.415 ( -3.340 -6.384 0.000) 7.205 15.417 ( -1.568 -4.546 0.000) 4.809 15.545 ( 1.613 -3.752 0.000) 4.084 15.677 ( -3.115 -4.951 0.000) 5.850 15.792 ( 3.091 -5.453 0.000) 6.268 15.824 ( 4.148 -7.837 0.000) 8.868 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 0.690 7.406 0.000) 7.438 2.243 ( -0.222 8.566 0.000) 8.569 2.342 ( 0.956 3.798 0.000) 3.916 2.361 ( 0.619 2.295 0.000) 2.377 2.427 ( 2.342 1.023 0.000) 2.555 2.445 ( 0.461 1.199 0.000) 1.284 2.613 ( -3.075 -1.020 0.000) 3.239 2.655 ( -6.316 -0.428 0.000) 6.330 2.984 ( 7.833 0.098 0.000) 7.834 3.106 ( -4.040 0.182 0.000) 4.044 3.253 ( 9.165 10.243 0.000) 13.744 3.298 ( 2.435 14.859 0.000) 15.058 3.322 ( 0.037 -1.089 0.000) 1.090 3.395 ( 0.285 4.905 0.000) 4.914 3.408 ( -8.484 0.154 0.000) 8.485 3.542 ( -11.255 0.130 0.000) 11.256 3.713 ( 1.254 1.834 0.000) 2.222 3.722 ( -0.225 5.993 0.000) 5.997 3.943 ( 6.751 2.110 0.000) 7.073 4.054 ( -4.678 3.140 0.000) 5.634 4.214 ( 6.460 7.818 0.000) 10.142 4.311 ( 2.970 5.600 0.000) 6.339 4.337 ( -2.621 11.280 0.000) 11.580 4.365 ( -4.290 9.686 0.000) 10.593 4.467 ( 2.420 -8.639 0.000) 8.971 4.548 ( -4.158 -6.609 0.000) 7.808 4.773 ( 1.713 -11.612 0.000) 11.738 4.773 ( 1.877 -9.672 0.000) 9.852 5.161 ( 3.392 22.979 0.000) 23.228 5.240 ( -4.506 20.195 0.000) 20.692 5.356 ( 2.389 14.645 0.000) 14.839 5.402 ( -2.274 15.011 0.000) 15.182 5.642 ( 2.376 21.414 0.000) 21.545 5.687 ( -2.088 20.823 0.000) 20.928 5.791 ( 1.032 18.652 0.000) 18.681 5.801 ( 0.043 17.179 0.000) 17.179 6.438 ( 2.220 6.259 0.000) 6.641 6.459 ( 2.915 3.027 0.000) 4.202 6.475 ( -1.780 5.485 0.000) 5.767 6.536 ( -4.754 0.839 0.000) 4.828 7.072 ( 2.217 -3.410 0.000) 4.067 7.117 ( -2.271 -4.052 0.000) 4.645 7.456 ( 2.008 -7.787 0.000) 8.042 7.468 ( 0.546 -8.372 0.000) 8.389 8.492 ( 5.161 6.241 0.000) 8.099 8.610 ( -6.289 6.452 0.000) 9.010 8.729 ( 9.561 3.793 0.000) 10.286 8.917 ( -8.289 4.512 0.000) 9.437 9.046 ( 8.505 -3.504 0.000) 9.198 9.191 ( -5.930 -1.557 0.000) 6.131 9.331 ( 9.945 -9.804 0.000) 13.965 9.483 ( -2.183 -10.747 0.000) 10.967 9.591 ( 8.253 -2.323 0.000) 8.574 9.683 ( 1.044 1.474 0.000) 1.807 10.019 ( 9.889 1.219 0.000) 9.964 10.040 ( -2.353 -8.001 0.000) 8.340 10.206 ( -7.714 -6.968 0.000) 10.396 10.342 ( -5.419 11.992 0.000) 13.159 10.551 ( -0.845 -13.474 0.000) 13.500 10.680 ( -1.696 9.091 0.000) 9.248 10.697 ( -0.170 13.652 0.000) 13.653 10.819 ( -18.559 -3.449 0.000) 18.877 11.458 ( 3.782 3.941 0.000) 5.462 11.463 ( 7.360 -8.664 0.000) 11.368 11.516 ( -2.544 6.398 0.000) 6.886 11.586 ( -3.327 -12.851 0.000) 13.275 11.736 ( 4.779 -12.067 0.000) 12.979 11.811 ( -0.570 -7.269 0.000) 7.292 12.025 ( 9.959 3.301 0.000) 10.492 12.226 ( -9.576 -0.813 0.000) 9.610 12.266 ( -2.235 0.304 0.000) 2.256 12.274 ( 5.373 4.520 0.000) 7.022 12.308 ( -2.740 -10.545 0.000) 10.895 12.404 ( -4.935 7.340 0.000) 8.845 12.821 ( 0.324 -11.203 0.000) 11.207 12.828 ( -0.436 -9.154 0.000) 9.165 15.161 ( 3.158 -2.286 0.000) 3.898 15.188 ( -0.085 -2.874 0.000) 2.875 15.366 ( -1.113 -6.700 0.000) 6.791 15.379 ( -1.962 -6.101 0.000) 6.409 15.575 ( 1.586 -2.632 0.000) 3.073 15.617 ( -2.832 -3.360 0.000) 4.395 15.857 ( 2.800 -6.270 0.000) 6.867 15.877 ( 0.934 -7.263 0.000) 7.323 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.000 3.424 0.000) 3.424 2.329 ( 0.000 4.362 0.000) 4.362 2.367 ( 0.000 0.308 0.000) 0.308 2.424 ( 0.000 -2.768 0.000) 2.768 2.451 ( 0.000 5.939 0.000) 5.939 2.511 ( 0.000 3.709 0.000) 3.709 2.633 ( 0.000 -2.800 0.000) 2.800 2.711 ( 0.000 -2.550 0.000) 2.550 3.096 ( 0.000 8.934 0.000) 8.934 3.203 ( 0.000 2.084 0.000) 2.084 3.224 ( 0.000 2.113 0.000) 2.113 3.286 ( 0.000 -1.458 0.000) 1.458 3.377 ( 0.000 8.688 0.000) 8.688 3.557 ( 0.000 0.885 0.000) 0.885 3.646 ( 0.000 7.649 0.000) 7.649 3.740 ( 0.000 -2.565 0.000) 2.565 3.744 ( 0.000 -1.556 0.000) 1.556 3.823 ( 0.000 -0.958 0.000) 0.958 3.847 ( 0.000 -4.936 0.000) 4.936 3.932 ( 0.000 -8.971 0.000) 8.971 4.004 ( 0.000 0.539 0.000) 0.539 4.158 ( 0.000 4.241 0.000) 4.241 4.334 ( 0.000 -10.655 0.000) 10.655 4.435 ( 0.000 6.544 0.000) 6.544 4.545 ( 0.000 -8.345 0.000) 8.345 4.577 ( 0.000 0.929 0.000) 0.929 4.735 ( 0.000 7.135 0.000) 7.135 4.771 ( 0.000 3.878 0.000) 3.878 5.563 ( 0.000 9.591 0.000) 9.591 5.564 ( 0.000 17.230 0.000) 17.230 5.612 ( 0.000 8.088 0.000) 8.088 5.743 ( 0.000 8.520 0.000) 8.520 5.920 ( 0.000 12.053 0.000) 12.053 6.017 ( 0.000 7.452 0.000) 7.452 6.031 ( 0.000 11.406 0.000) 11.406 6.082 ( 0.000 10.651 0.000) 10.651 6.464 ( 0.000 1.727 0.000) 1.727 6.477 ( 0.000 2.580 0.000) 2.580 6.547 ( 0.000 1.476 0.000) 1.476 6.635 ( 0.000 -2.121 0.000) 2.121 7.072 ( 0.000 5.541 0.000) 5.541 7.100 ( 0.000 -1.821 0.000) 1.821 7.207 ( 0.000 -6.284 0.000) 6.284 7.301 ( 0.000 -4.909 0.000) 4.909 8.496 ( 0.000 5.079 0.000) 5.079 8.586 ( 0.000 2.377 0.000) 2.377 8.660 ( 0.000 -2.424 0.000) 2.424 8.796 ( 0.000 -8.568 0.000) 8.568 9.057 ( 0.000 7.662 0.000) 7.662 9.247 ( 0.000 -1.627 0.000) 1.627 9.364 ( 0.000 4.672 0.000) 4.672 9.365 ( 0.000 7.107 0.000) 7.107 9.403 ( 0.000 10.281 0.000) 10.281 9.573 ( 0.000 2.321 0.000) 2.321 9.940 ( 0.000 -19.986 0.000) 19.986 9.943 ( 0.000 7.096 0.000) 7.096 10.426 ( 0.000 -27.432 0.000) 27.432 10.437 ( 0.000 -6.437 0.000) 6.437 10.478 ( 0.000 11.048 0.000) 11.048 10.855 ( 0.000 -2.545 0.000) 2.545 10.872 ( 0.000 1.349 0.000) 1.349 11.056 ( 0.000 -9.499 0.000) 9.499 11.181 ( 0.000 5.382 0.000) 5.382 11.247 ( 0.000 -4.643 0.000) 4.643 11.335 ( 0.000 -2.639 0.000) 2.639 11.548 ( 0.000 -8.489 0.000) 8.489 11.689 ( 0.000 5.344 0.000) 5.344 11.818 ( 0.000 0.843 0.000) 0.843 11.939 ( 0.000 0.274 0.000) 0.274 11.997 ( 0.000 -5.436 0.000) 5.436 12.175 ( 0.000 0.132 0.000) 0.132 12.438 ( 0.000 3.665 0.000) 3.665 12.529 ( 0.000 -13.102 0.000) 13.102 12.538 ( 0.000 3.770 0.000) 3.770 12.615 ( 0.000 2.771 0.000) 2.771 12.689 ( 0.000 -7.750 0.000) 7.750 15.082 ( 0.000 4.402 0.000) 4.402 15.190 ( 0.000 0.406 0.000) 0.406 15.304 ( 0.000 -5.773 0.000) 5.773 15.330 ( 0.000 -6.357 0.000) 6.357 15.553 ( 0.000 3.633 0.000) 3.633 15.641 ( 0.000 -2.292 0.000) 2.292 15.652 ( 0.000 -2.796 0.000) 2.796 15.684 ( 0.000 -2.815 0.000) 2.815 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.356 3.013 0.000) 3.304 2.355 ( 2.601 3.613 0.000) 4.452 2.375 ( 0.653 0.796 0.000) 1.030 2.397 ( -1.851 0.594 0.000) 1.944 2.457 ( 0.401 2.629 0.000) 2.659 2.481 ( -2.679 4.457 0.000) 5.200 2.622 ( -1.639 -3.282 0.000) 3.668 2.703 ( -1.947 -4.110 0.000) 4.548 3.007 ( -3.587 7.627 0.000) 8.428 3.212 ( -0.448 3.728 0.000) 3.755 3.263 ( 1.111 -2.436 0.000) 2.678 3.297 ( -1.844 4.038 0.000) 4.439 3.409 ( 5.074 1.080 0.000) 5.188 3.546 ( -2.736 -3.595 0.000) 4.517 3.558 ( -2.999 9.008 0.000) 9.494 3.700 ( -3.399 3.315 0.000) 4.748 3.711 ( -1.713 1.489 0.000) 2.270 3.796 ( -0.385 -0.931 0.000) 1.008 3.920 ( 4.532 4.099 0.000) 6.111 4.034 ( 9.046 -6.224 0.000) 10.980 4.129 ( 7.820 -6.912 0.000) 10.436 4.137 ( -1.819 3.059 0.000) 3.559 4.375 ( 4.293 -9.733 0.000) 10.638 4.445 ( 1.122 6.131 0.000) 6.233 4.510 ( -2.798 -6.015 0.000) 6.634 4.587 ( 0.302 -2.204 0.000) 2.225 4.681 ( -5.070 7.054 0.000) 8.687 4.710 ( -5.953 3.600 0.000) 6.957 5.552 ( -0.897 15.971 0.000) 15.996 5.571 ( 0.697 9.276 0.000) 9.302 5.601 ( -0.987 8.718 0.000) 8.774 5.709 ( -2.947 8.066 0.000) 8.587 5.948 ( 2.548 12.497 0.000) 12.754 6.039 ( 0.511 11.754 0.000) 11.765 6.043 ( 2.190 8.114 0.000) 8.404 6.088 ( 0.485 10.564 0.000) 10.575 6.481 ( 1.573 2.540 0.000) 2.988 6.497 ( 1.955 2.418 0.000) 3.109 6.557 ( 0.787 2.213 0.000) 2.349 6.617 ( -1.761 -0.451 0.000) 1.818 7.068 ( -0.280 4.641 0.000) 4.650 7.092 ( -0.735 -1.206 0.000) 1.413 7.239 ( 2.793 -7.268 0.000) 7.786 7.302 ( 0.108 -5.833 0.000) 5.834 8.536 ( 4.112 6.407 0.000) 7.613 8.628 ( 5.018 2.951 0.000) 5.822 8.755 ( 8.927 -1.871 0.000) 9.121 8.872 ( 7.475 -8.509 0.000) 11.326 8.977 ( -6.189 7.969 0.000) 10.090 9.285 ( 1.611 -3.869 0.000) 4.191 9.285 ( -8.493 7.276 0.000) 11.183 9.361 ( -4.066 7.000 0.000) 8.095 9.420 ( 4.998 1.296 0.000) 5.163 9.620 ( 4.486 0.572 0.000) 4.522 9.886 ( -4.162 -16.948 0.000) 17.452 9.957 ( -1.340 -0.134 0.000) 1.346 10.208 ( -8.147 -8.507 0.000) 11.779 10.467 ( -0.976 8.782 0.000) 8.836 10.625 ( 8.139 -13.256 0.000) 15.556 10.731 ( -8.493 4.230 0.000) 9.489 10.881 ( -0.906 -0.664 0.000) 1.123 11.115 ( -10.248 2.341 0.000) 10.512 11.168 ( 9.463 -11.911 0.000) 15.212 11.260 ( -2.365 0.758 0.000) 2.484 11.287 ( 3.442 -4.694 0.000) 5.820 11.540 ( -0.799 -7.361 0.000) 7.405 11.643 ( -3.157 0.759 0.000) 3.247 11.740 ( -5.892 -3.170 0.000) 6.691 12.008 ( 5.152 3.302 0.000) 6.120 12.088 ( 5.299 -6.716 0.000) 8.554 12.224 ( 6.296 4.254 0.000) 7.598 12.383 ( -5.264 3.224 0.000) 6.173 12.479 ( -6.381 4.208 0.000) 7.644 12.549 ( 1.901 -12.099 0.000) 12.248 12.576 ( -2.914 0.950 0.000) 3.065 12.684 ( -1.029 -6.266 0.000) 6.350 15.106 ( 2.172 3.056 0.000) 3.749 15.174 ( -1.132 0.364 0.000) 1.189 15.287 ( -1.600 -5.593 0.000) 5.818 15.292 ( -3.040 -5.365 0.000) 6.166 15.572 ( 1.553 3.395 0.000) 3.733 15.625 ( -0.826 -0.536 0.000) 0.985 15.703 ( 3.597 -4.205 0.000) 5.533 15.710 ( 2.373 -3.149 0.000) 3.943 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 1.189 3.977 0.000) 4.151 2.373 ( -1.145 3.366 0.000) 3.556 2.397 ( 2.150 1.232 0.000) 2.478 2.417 ( 2.296 4.265 0.000) 4.844 2.438 ( -0.185 0.386 0.000) 0.428 2.461 ( 0.003 0.984 0.000) 0.984 2.574 ( -2.123 -2.689 0.000) 3.426 2.616 ( -5.725 -3.334 0.000) 6.625 3.022 ( 4.319 3.760 0.000) 5.726 3.128 ( -5.915 2.400 0.000) 6.383 3.254 ( 0.495 -5.272 0.000) 5.295 3.323 ( -5.244 -5.381 0.000) 7.514 3.405 ( 6.690 5.951 0.000) 8.954 3.530 ( -3.102 5.354 0.000) 6.188 3.609 ( 4.207 7.924 0.000) 8.972 3.653 ( -3.073 12.741 0.000) 13.106 3.693 ( 2.536 0.509 0.000) 2.586 3.764 ( -2.796 -2.934 0.000) 4.053 4.016 ( 4.624 5.396 0.000) 7.106 4.084 ( -2.635 5.030 0.000) 5.678 4.207 ( 6.034 -8.735 0.000) 10.616 4.232 ( 2.654 -10.549 0.000) 10.878 4.470 ( 0.675 -4.342 0.000) 4.395 4.479 ( 5.114 -7.933 0.000) 9.439 4.484 ( 2.440 7.133 0.000) 7.539 4.564 ( -7.044 5.569 0.000) 8.979 4.572 ( -2.136 -4.565 0.000) 5.040 4.576 ( -5.665 3.711 0.000) 6.772 5.543 ( 0.267 13.420 0.000) 13.423 5.562 ( -1.412 10.767 0.000) 10.859 5.607 ( 1.649 8.415 0.000) 8.575 5.650 ( -2.809 7.876 0.000) 8.362 6.001 ( 2.545 12.844 0.000) 13.093 6.036 ( -1.016 12.461 0.000) 12.503 6.082 ( 1.516 9.159 0.000) 9.284 6.095 ( 0.050 10.065 0.000) 10.065 6.520 ( 2.389 3.019 0.000) 3.850 6.541 ( 2.184 2.952 0.000) 3.672 6.561 ( -0.970 2.659 0.000) 2.831 6.576 ( -2.031 2.520 0.000) 3.237 7.066 ( 0.184 2.623 0.000) 2.630 7.076 ( -0.794 0.441 0.000) 0.909 7.287 ( 1.735 -8.147 0.000) 8.330 7.303 ( -0.136 -7.477 0.000) 7.478 8.648 ( 7.126 8.742 0.000) 11.278 8.755 ( 2.383 7.025 0.000) 7.418 8.850 ( 1.670 8.131 0.000) 8.301 9.001 ( 12.387 -2.207 0.000) 12.582 9.018 ( -1.869 2.463 0.000) 3.091 9.108 ( -0.469 -6.020 0.000) 6.038 9.233 ( -9.355 2.397 0.000) 9.657 9.255 ( -5.885 -10.719 0.000) 12.228 9.521 ( 6.382 -2.467 0.000) 6.843 9.664 ( -4.290 -4.304 0.000) 6.077 9.840 ( -0.673 -12.187 0.000) 12.206 9.841 ( -3.623 -12.504 0.000) 13.018 10.234 ( 7.785 7.474 0.000) 10.792 10.404 ( -7.526 2.437 0.000) 7.911 10.645 ( 3.293 15.709 0.000) 16.050 10.753 ( 5.460 -7.931 0.000) 9.629 10.839 ( -3.384 -4.014 0.000) 5.251 10.840 ( -14.647 8.458 0.000) 16.913 11.285 ( 3.137 -4.372 0.000) 5.381 11.325 ( 0.873 -9.807 0.000) 9.846 11.382 ( 10.252 -9.658 0.000) 14.085 11.535 ( 1.299 -3.198 0.000) 3.452 11.564 ( -6.433 -6.489 0.000) 9.138 11.608 ( -6.570 -4.874 0.000) 8.180 12.119 ( 6.501 4.128 0.000) 7.701 12.189 ( 6.083 -0.337 0.000) 6.092 12.257 ( -7.317 3.080 0.000) 7.938 12.327 ( -8.173 3.139 0.000) 8.755 12.377 ( 7.860 3.042 0.000) 8.428 12.502 ( -5.035 1.897 0.000) 5.381 12.595 ( 2.727 -9.881 0.000) 10.250 12.648 ( -2.558 -7.478 0.000) 7.904 15.147 ( 1.578 0.616 0.000) 1.693 15.160 ( -0.290 -0.039 0.000) 0.292 15.246 ( -1.220 -4.509 0.000) 4.671 15.253 ( -1.576 -4.957 0.000) 5.202 15.597 ( 0.889 3.151 0.000) 3.274 15.610 ( -0.682 1.867 0.000) 1.988 15.755 ( 1.664 -4.117 0.000) 4.440 15.757 ( 1.520 -4.748 0.000) 4.985 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.000 -2.781 0.000) 2.781 2.368 ( 0.000 2.781 0.000) 2.781 2.368 ( 0.000 -0.365 0.000) 0.365 2.368 ( 0.000 0.365 0.000) 0.365 2.558 ( 0.000 -4.400 0.000) 4.400 2.558 ( 0.000 4.400 0.000) 4.400 2.619 ( 0.000 -5.744 0.000) 5.744 2.619 ( 0.000 5.744 0.000) 5.744 3.215 ( 0.000 -2.145 0.000) 2.145 3.215 ( 0.000 2.145 0.000) 2.145 3.254 ( 0.000 -1.423 0.000) 1.423 3.254 ( 0.000 1.423 0.000) 1.423 3.536 ( 0.000 -4.791 0.000) 4.791 3.536 ( 0.000 4.791 0.000) 4.791 3.706 ( 0.000 -0.442 0.000) 0.442 3.706 ( 0.000 0.442 0.000) 0.442 3.776 ( 0.000 -0.284 0.000) 0.284 3.776 ( 0.000 0.284 0.000) 0.284 3.783 ( 0.000 -5.380 0.000) 5.380 3.783 ( 0.000 5.380 0.000) 5.380 4.123 ( 0.000 -9.075 0.000) 9.075 4.123 ( 0.000 9.075 0.000) 9.075 4.311 ( 0.000 -9.595 0.000) 9.595 4.311 ( 0.000 9.595 0.000) 9.595 4.569 ( 0.000 -2.430 0.000) 2.430 4.569 ( 0.000 2.430 0.000) 2.430 4.814 ( 0.000 -0.538 0.000) 0.538 4.814 ( 0.000 0.538 0.000) 0.538 5.678 ( 0.000 -1.458 0.000) 1.458 5.678 ( 0.000 1.459 0.000) 1.459 5.788 ( 0.000 -4.330 0.000) 4.330 5.788 ( 0.000 4.330 0.000) 4.330 6.071 ( 0.000 -2.410 0.000) 2.410 6.071 ( 0.000 2.410 0.000) 2.410 6.173 ( 0.000 -1.789 0.000) 1.789 6.173 ( 0.000 1.789 0.000) 1.789 6.492 ( 0.000 -0.829 0.000) 0.829 6.492 ( 0.000 0.829 0.000) 0.829 6.587 ( 0.000 -2.333 0.000) 2.333 6.587 ( 0.000 2.333 0.000) 2.333 7.110 ( 0.000 -2.773 0.000) 2.773 7.110 ( 0.000 2.773 0.000) 2.773 7.198 ( 0.000 -5.742 0.000) 5.742 7.198 ( 0.000 5.742 0.000) 5.742 8.618 ( 0.000 -1.473 0.000) 1.473 8.618 ( 0.000 1.473 0.000) 1.473 8.625 ( 0.000 -7.477 0.000) 7.477 8.625 ( 0.000 7.477 0.000) 7.477 9.194 ( 0.000 -4.564 0.000) 4.564 9.194 ( 0.000 4.564 0.000) 4.564 9.484 ( 0.000 -3.248 0.000) 3.248 9.484 ( 0.000 3.248 0.000) 3.248 9.569 ( 0.000 -14.815 0.000) 14.815 9.569 ( 0.000 14.815 0.000) 14.815 9.797 ( 0.000 -18.968 0.000) 18.968 9.797 ( 0.000 18.968 0.000) 18.968 10.253 ( 0.000 -8.878 0.000) 8.878 10.253 ( 0.000 8.878 0.000) 8.878 10.712 ( 0.000 -11.532 0.000) 11.532 10.712 ( 0.000 11.532 0.000) 11.532 10.884 ( 0.000 -5.358 0.000) 5.358 10.884 ( 0.000 5.358 0.000) 5.358 11.280 ( 0.000 -3.284 0.000) 3.284 11.280 ( 0.000 3.284 0.000) 3.284 11.359 ( 0.000 -9.449 0.000) 9.449 11.359 ( 0.000 9.449 0.000) 9.449 11.766 ( 0.000 -3.421 0.000) 3.421 11.766 ( 0.000 3.421 0.000) 3.421 11.931 ( 0.000 -0.330 0.000) 0.330 11.931 ( 0.000 0.330 0.000) 0.330 12.302 ( 0.000 -8.726 0.000) 8.726 12.302 ( 0.000 8.726 0.000) 8.726 12.540 ( 0.000 -6.261 0.000) 6.261 12.540 ( 0.000 6.261 0.000) 6.261 12.610 ( 0.000 -2.549 0.000) 2.549 12.610 ( 0.000 2.549 0.000) 2.549 15.198 ( 0.000 -6.344 0.000) 6.344 15.198 ( 0.000 6.344 0.000) 6.344 15.219 ( 0.000 -2.576 0.000) 2.576 15.219 ( 0.000 2.576 0.000) 2.576 15.622 ( 0.000 -0.301 0.000) 0.301 15.622 ( 0.000 0.301 0.000) 0.301 15.625 ( 0.000 -3.158 0.000) 3.158 15.625 ( 0.000 3.158 0.000) 3.158 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.404 -2.163 0.000) 2.200 2.367 ( 0.404 2.163 0.000) 2.200 2.383 ( 1.475 -0.313 0.000) 1.508 2.383 ( 1.475 0.313 0.000) 1.508 2.543 ( -1.467 -4.296 0.000) 4.539 2.543 ( -1.467 4.296 0.000) 4.539 2.597 ( -2.446 -5.909 0.000) 6.395 2.597 ( -2.446 5.909 0.000) 6.395 3.160 ( -3.882 -6.783 0.000) 7.816 3.160 ( -3.882 6.783 0.000) 7.816 3.289 ( 0.794 -3.528 0.000) 3.616 3.289 ( 0.794 3.528 0.000) 3.616 3.461 ( -2.678 -4.104 0.000) 4.901 3.461 ( -2.678 4.104 0.000) 4.901 3.690 ( -1.325 -4.305 0.000) 4.504 3.690 ( -1.325 4.305 0.000) 4.504 3.847 ( 4.697 -8.858 0.000) 10.026 3.847 ( 4.697 8.858 0.000) 10.026 3.866 ( 6.302 -8.538 0.000) 10.612 3.866 ( 6.302 8.538 0.000) 10.612 4.168 ( 4.275 -8.861 0.000) 9.839 4.168 ( 4.275 8.861 0.000) 9.839 4.291 ( -1.724 -10.014 0.000) 10.162 4.291 ( -1.724 10.014 0.000) 10.162 4.565 ( -0.238 -2.350 0.000) 2.362 4.565 ( -0.238 2.350 0.000) 2.362 4.757 ( -5.429 -0.308 0.000) 5.437 4.757 ( -5.429 0.308 0.000) 5.437 5.679 ( 0.071 -0.963 0.000) 0.965 5.679 ( 0.071 0.963 0.000) 0.965 5.756 ( -2.689 -3.757 0.000) 4.620 5.756 ( -2.689 3.757 0.000) 4.620 6.104 ( 2.824 -2.382 0.000) 3.695 6.104 ( 2.824 2.382 0.000) 3.695 6.181 ( 0.617 -1.591 0.000) 1.707 6.181 ( 0.617 1.591 0.000) 1.707 6.514 ( 2.102 -0.641 0.000) 2.197 6.514 ( 2.102 0.641 0.000) 2.197 6.597 ( 0.703 -1.535 0.000) 1.689 6.597 ( 0.703 1.535 0.000) 1.689 7.119 ( 0.915 -3.857 0.000) 3.964 7.119 ( 0.915 3.857 0.000) 3.964 7.185 ( -1.130 -5.897 0.000) 6.004 7.185 ( -1.130 5.897 0.000) 6.004 8.690 ( 6.365 -8.480 0.000) 10.603 8.690 ( 6.365 8.480 0.000) 10.603 8.691 ( 7.591 -3.378 0.000) 8.308 8.691 ( 7.591 3.378 0.000) 8.308 9.162 ( -3.818 -8.466 0.000) 9.287 9.162 ( -3.818 8.466 0.000) 9.287 9.434 ( -6.448 -3.796 0.000) 7.482 9.434 ( -6.448 3.796 0.000) 7.483 9.566 ( 0.250 -12.587 0.000) 12.589 9.566 ( 0.250 12.587 0.000) 12.589 9.712 ( -5.958 -12.722 0.000) 14.048 9.712 ( -5.958 12.722 0.000) 14.048 10.334 ( 6.900 -13.267 0.000) 14.954 10.334 ( 6.900 13.267 0.000) 14.954 10.679 ( -3.129 -12.332 0.000) 12.723 10.679 ( -3.129 12.332 0.000) 12.723 10.917 ( 3.030 -11.807 0.000) 12.189 10.917 ( 3.030 11.807 0.000) 12.190 11.219 ( -5.745 -5.571 0.000) 8.003 11.219 ( -5.745 5.571 0.000) 8.003 11.379 ( 2.088 -8.242 0.000) 8.502 11.379 ( 2.088 8.242 0.000) 8.502 11.660 ( -7.093 -3.148 0.000) 7.760 11.660 ( -7.093 3.148 0.000) 7.760 12.040 ( 7.444 -0.692 0.000) 7.476 12.040 ( 7.444 0.692 0.000) 7.476 12.345 ( 4.150 -7.515 0.000) 8.584 12.345 ( 4.150 7.515 0.000) 8.584 12.470 ( -6.296 -4.798 0.000) 7.916 12.470 ( -6.296 4.798 0.000) 7.916 12.599 ( -1.705 -3.287 0.000) 3.703 12.599 ( -1.705 3.287 0.000) 3.703 15.189 ( -0.735 -4.670 0.000) 4.727 15.189 ( -0.735 4.670 0.000) 4.727 15.204 ( -1.315 -2.607 0.000) 2.919 15.204 ( -1.315 2.607 0.000) 2.919 15.641 ( 1.681 -1.903 0.000) 2.539 15.641 ( 1.681 1.903 0.000) 2.539 15.645 ( 1.700 -3.351 0.000) 3.757 15.645 ( 1.700 3.351 0.000) 3.757 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 2.527 -1.238 0.000) 2.813 2.397 ( 2.527 1.238 0.000) 2.813 2.416 ( 1.353 -1.399 0.000) 1.946 2.416 ( 1.353 1.399 0.000) 1.946 2.509 ( -1.570 -3.275 0.000) 3.632 2.509 ( -1.570 3.275 0.000) 3.632 2.528 ( -3.816 -4.908 0.000) 6.217 2.528 ( -3.816 4.908 0.000) 6.217 3.129 ( 1.419 -6.181 0.000) 6.342 3.129 ( 1.419 6.181 0.000) 6.342 3.208 ( -6.026 -5.161 0.000) 7.934 3.208 ( -6.026 5.161 0.000) 7.934 3.533 ( 6.783 -6.405 0.000) 9.329 3.533 ( 6.783 6.405 0.000) 9.329 3.643 ( -4.020 -6.119 0.000) 7.322 3.643 ( -4.020 6.119 0.000) 7.322 3.922 ( 3.061 -12.742 0.000) 13.104 3.922 ( 3.061 12.742 0.000) 13.104 3.950 ( 1.129 -13.691 0.000) 13.737 3.950 ( 1.129 13.691 0.000) 13.737 4.251 ( 3.106 -10.205 0.000) 10.668 4.251 ( 3.106 10.205 0.000) 10.668 4.271 ( -0.036 -10.508 0.000) 10.508 4.271 ( -0.036 10.508 0.000) 10.508 4.569 ( 1.220 -0.999 0.000) 1.577 4.569 ( 1.220 0.999 0.000) 1.577 4.637 ( -5.803 -0.376 0.000) 5.815 4.637 ( -5.803 0.376 0.000) 5.815 5.684 ( 0.590 -1.078 0.000) 1.229 5.684 ( 0.590 1.078 0.000) 1.229 5.707 ( -1.962 -2.512 0.000) 3.188 5.707 ( -1.962 2.512 0.000) 3.188 6.157 ( 2.306 -2.058 0.000) 3.091 6.157 ( 2.306 2.058 0.000) 3.091 6.185 ( -0.522 -1.579 0.000) 1.663 6.185 ( -0.522 1.579 0.000) 1.663 6.562 ( 2.526 -0.726 0.000) 2.628 6.562 ( 2.526 0.726 0.000) 2.628 6.598 ( -0.926 -0.643 0.000) 1.128 6.598 ( -0.926 0.643 0.000) 1.128 7.140 ( 1.137 -5.579 0.000) 5.693 7.140 ( 1.137 5.579 0.000) 5.694 7.162 ( -1.167 -6.120 0.000) 6.231 7.162 ( -1.167 6.120 0.000) 6.231 8.849 ( 9.338 -10.539 0.000) 14.081 8.849 ( 9.338 10.539 0.000) 14.081 8.901 ( 12.707 -6.895 0.000) 14.457 8.901 ( 12.707 6.895 0.000) 14.457 9.045 ( -6.994 -9.963 0.000) 12.173 9.045 ( -6.994 9.963 0.000) 12.173 9.213 ( -15.025 -6.464 0.000) 16.357 9.213 ( -15.025 6.464 0.000) 16.357 9.591 ( 2.102 -9.507 0.000) 9.737 9.591 ( 2.102 9.507 0.000) 9.737 9.635 ( -2.523 -5.485 0.000) 6.037 9.635 ( -2.523 5.485 0.000) 6.037 10.475 ( 7.166 -14.787 0.000) 16.432 10.475 ( 7.166 14.787 0.000) 16.432 10.597 ( -5.348 -13.885 0.000) 14.879 10.597 ( -5.348 13.885 0.000) 14.879 10.989 ( 4.493 -17.436 0.000) 18.006 10.989 ( 4.493 17.436 0.000) 18.006 11.094 ( -6.371 -13.945 0.000) 15.331 11.094 ( -6.371 13.945 0.000) 15.331 11.439 ( 4.096 -6.340 0.000) 7.548 11.439 ( 4.096 6.340 0.000) 7.548 11.535 ( -5.761 -4.467 0.000) 7.290 11.535 ( -5.761 4.467 0.000) 7.290 12.181 ( 7.303 -1.615 0.000) 7.479 12.181 ( 7.303 1.615 0.000) 7.479 12.328 ( -7.877 -3.027 0.000) 8.438 12.328 ( -7.877 3.027 0.000) 8.438 12.443 ( 5.514 -4.595 0.000) 7.178 12.443 ( 5.514 4.595 0.000) 7.178 12.540 ( -4.237 -3.210 0.000) 5.315 12.540 ( -4.237 3.210 0.000) 5.315 15.177 ( -0.323 -2.296 0.000) 2.319 15.177 ( -0.323 2.296 0.000) 2.319 15.182 ( -0.780 -2.104 0.000) 2.244 15.182 ( -0.780 2.104 0.000) 2.244 15.671 ( 1.050 -3.688 0.000) 3.835 15.671 ( 1.050 3.688 0.000) 3.835 15.673 ( 0.864 -3.915 0.000) 4.009 15.673 ( 0.864 3.915 0.000) 4.009 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 0.000 26.296) 26.296 0.573 ( 0.000 0.000 27.352) 27.352 1.022 ( 0.000 0.000 47.527) 47.527 1.414 ( 0.000 0.000 -11.680) 11.680 1.622 ( 0.000 0.000 -20.900) 20.900 1.889 ( 0.000 0.000 -0.791) 0.791 2.003 ( 0.000 0.000 -3.844) 3.844 2.105 ( 0.000 0.000 5.604) 5.604 2.155 ( 0.000 0.000 -2.231) 2.231 2.169 ( 0.000 0.000 2.571) 2.571 2.287 ( 0.000 0.000 -1.352) 1.352 2.317 ( 0.000 0.000 7.355) 7.355 2.348 ( 0.000 0.000 13.310) 13.310 2.407 ( 0.000 0.000 -6.136) 6.136 2.418 ( 0.000 0.000 5.092) 5.092 2.582 ( 0.000 0.000 -10.487) 10.487 2.588 ( 0.000 0.000 -1.995) 1.995 2.718 ( 0.000 0.000 -6.390) 6.390 2.755 ( 0.000 0.000 -10.365) 10.365 2.839 ( 0.000 0.000 3.857) 3.857 2.978 ( 0.000 0.000 -1.974) 1.974 3.043 ( 0.000 0.000 -27.549) 27.549 3.150 ( 0.000 0.000 11.198) 11.198 3.529 ( 0.000 0.000 11.692) 11.692 3.979 ( 0.000 0.000 10.346) 10.346 4.074 ( 0.000 0.000 0.107) 0.107 4.078 ( 0.000 0.000 -14.298) 14.298 4.359 ( 0.000 0.000 -0.537) 0.537 4.686 ( 0.000 0.000 5.199) 5.199 4.779 ( 0.000 0.000 1.073) 1.073 4.870 ( 0.000 0.000 -3.380) 3.380 5.027 ( 0.000 0.000 -2.741) 2.741 5.140 ( 0.000 0.000 5.515) 5.515 5.251 ( 0.000 0.000 0.653) 0.653 5.498 ( 0.000 0.000 -0.907) 0.907 5.516 ( 0.000 0.000 -0.510) 0.510 6.128 ( 0.000 0.000 -1.029) 1.029 6.161 ( 0.000 0.000 -2.057) 2.057 6.806 ( 0.000 0.000 6.448) 6.448 6.877 ( 0.000 0.000 2.464) 2.464 7.304 ( 0.000 0.000 8.779) 8.779 7.456 ( 0.000 0.000 6.289) 6.289 7.797 ( 0.000 0.000 -9.965) 9.965 7.864 ( 0.000 0.000 1.118) 1.118 7.892 ( 0.000 0.000 -6.340) 6.340 8.242 ( 0.000 0.000 1.241) 1.241 8.270 ( 0.000 0.000 0.582) 0.582 8.292 ( 0.000 0.000 -10.701) 10.701 8.532 ( 0.000 0.000 7.111) 7.111 8.691 ( 0.000 0.000 0.155) 0.155 9.126 ( 0.000 0.000 4.218) 4.218 9.314 ( 0.000 0.000 2.741) 2.741 9.394 ( 0.000 0.000 -0.726) 0.726 9.437 ( 0.000 0.000 -7.815) 7.815 9.599 ( 0.000 0.000 2.633) 2.633 9.962 ( 0.000 0.000 12.299) 12.299 10.007 ( 0.000 0.000 -12.436) 12.436 10.144 ( 0.000 0.000 1.847) 1.847 10.195 ( 0.000 0.000 -0.032) 0.032 10.428 ( 0.000 0.000 -6.252) 6.252 10.664 ( 0.000 0.000 9.454) 9.454 10.927 ( 0.000 0.000 -2.242) 2.242 11.031 ( 0.000 0.000 -0.886) 0.886 11.071 ( 0.000 0.000 -2.216) 2.216 11.463 ( 0.000 0.000 2.031) 2.031 11.498 ( 0.000 0.000 0.819) 0.819 11.540 ( 0.000 0.000 -0.216) 0.216 11.560 ( 0.000 0.000 -1.114) 1.114 11.932 ( 0.000 0.000 3.777) 3.777 12.201 ( 0.000 0.000 -7.297) 7.297 12.420 ( 0.000 0.000 3.504) 3.504 12.548 ( 0.000 0.000 -2.298) 2.298 13.356 ( 0.000 0.000 2.557) 2.557 13.426 ( 0.000 0.000 0.130) 0.130 13.852 ( 0.000 0.000 0.674) 0.674 13.942 ( 0.000 0.000 -2.983) 2.983 15.554 ( 0.000 0.000 0.999) 0.999 15.630 ( 0.000 0.000 -1.977) 1.977 15.851 ( 0.000 0.000 0.162) 0.162 15.905 ( 0.000 0.000 -1.747) 1.747 16.722 ( 0.000 0.000 1.035) 1.035 16.889 ( 0.000 0.000 -5.511) 5.511 16.942 ( 0.000 0.000 5.914) 5.914 17.092 ( 0.000 0.000 0.234) 0.234 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 16.921 0.000 18.840) 25.323 0.797 ( 18.033 0.000 19.556) 26.601 1.329 ( 28.913 0.000 34.653) 45.131 1.466 ( 4.934 0.000 -9.702) 10.885 1.685 ( 5.833 0.000 -19.276) 20.139 1.796 ( -10.298 0.000 0.450) 10.308 1.920 ( -5.773 0.000 -1.775) 6.039 2.026 ( -19.778 0.000 3.488) 20.083 2.096 ( -0.090 0.000 3.053) 3.054 2.161 ( -1.133 0.000 -4.134) 4.286 2.190 ( 0.072 0.000 -0.246) 0.256 2.281 ( 0.069 0.000 -1.413) 1.414 2.363 ( -1.973 0.000 -2.978) 3.572 2.488 ( 10.768 0.000 15.055) 18.510 2.495 ( 4.969 0.000 2.525) 5.573 2.616 ( 2.041 0.000 -0.234) 2.054 2.685 ( 1.350 0.000 -7.767) 7.884 2.763 ( 6.277 0.000 -7.834) 10.039 2.841 ( 0.416 0.000 2.728) 2.759 2.874 ( 12.700 0.000 -3.957) 13.303 2.962 ( -1.678 0.000 -1.879) 2.519 3.124 ( 4.399 0.000 -9.948) 10.878 3.164 ( 3.536 0.000 -3.645) 5.078 3.455 ( -5.186 0.000 6.039) 7.960 3.684 ( -20.873 0.000 14.767) 25.568 3.913 ( -11.110 0.000 -11.844) 16.240 4.107 ( -2.482 0.000 -6.897) 7.330 4.222 ( -18.284 0.000 -7.380) 19.718 4.649 ( -4.994 0.000 4.564) 6.765 4.826 ( 2.233 0.000 0.903) 2.409 4.900 ( 8.482 0.000 1.459) 8.606 5.063 ( -5.619 0.000 3.088) 6.412 5.108 ( 4.194 0.000 1.542) 4.468 5.249 ( -1.063 0.000 0.438) 1.149 5.573 ( 6.539 0.000 -0.301) 6.546 5.618 ( 7.462 0.000 -1.176) 7.554 6.040 ( -3.749 0.000 2.051) 4.273 6.246 ( 4.838 0.000 -6.644) 8.219 6.589 ( -13.776 0.000 9.026) 16.469 6.869 ( -2.734 0.000 -4.426) 5.202 7.482 ( 2.670 0.000 6.237) 6.784 7.542 ( 15.998 0.000 6.047) 17.102 7.808 ( -5.873 0.000 6.247) 8.574 7.850 ( 3.955 0.000 -5.896) 7.100 7.900 ( 1.714 0.000 -11.182) 11.313 8.080 ( -10.137 0.000 13.716) 17.055 8.190 ( -7.516 0.000 -8.211) 11.132 8.234 ( -1.485 0.000 0.597) 1.601 8.646 ( 8.598 0.000 4.250) 9.591 8.753 ( 5.359 0.000 0.665) 5.400 9.242 ( 11.010 0.000 2.701) 11.336 9.294 ( -1.814 0.000 2.365) 2.981 9.368 ( -2.633 0.000 -0.728) 2.731 9.470 ( 0.612 0.000 -3.196) 3.254 9.583 ( -1.321 0.000 -0.142) 1.329 9.783 ( -9.605 0.000 -0.785) 9.637 10.146 ( 0.227 0.000 1.674) 1.690 10.187 ( -0.777 0.000 0.164) 0.794 10.290 ( 17.958 0.000 -5.933) 18.912 10.594 ( 14.278 0.000 -7.489) 16.122 10.867 ( 10.941 0.000 4.061) 11.671 11.032 ( 0.162 0.000 -1.037) 1.050 11.055 ( 12.751 0.000 -3.312) 13.174 11.064 ( -0.618 0.000 -2.099) 2.188 11.467 ( 0.358 0.000 1.977) 2.009 11.493 ( -0.399 0.000 1.090) 1.161 11.546 ( 0.470 0.000 -0.440) 0.644 11.561 ( 0.000 0.000 -1.093) 1.093 11.797 ( -15.646 0.000 5.668) 16.641 11.947 ( -22.152 0.000 6.158) 22.992 12.300 ( -3.295 0.000 -0.375) 3.316 12.457 ( -7.353 0.000 -3.803) 8.278 13.316 ( -0.450 0.000 3.966) 3.992 13.449 ( -1.717 0.000 -1.736) 2.442 13.874 ( 2.121 0.000 0.643) 2.216 13.947 ( 0.284 0.000 -2.204) 2.222 15.558 ( 1.046 0.000 0.030) 1.047 15.647 ( 1.241 0.000 -3.420) 3.639 15.862 ( 0.656 0.000 0.407) 0.772 15.940 ( 1.294 0.000 -1.500) 1.981 16.713 ( -0.584 0.000 0.151) 0.603 16.824 ( -5.106 0.000 -1.843) 5.429 16.939 ( 0.168 0.000 4.234) 4.237 17.030 ( -2.522 0.000 2.969) 3.896 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 19.746 0.000 11.112) 22.658 1.178 ( 20.975 0.000 12.786) 24.565 1.473 ( -13.671 0.000 5.727) 14.822 1.589 ( -20.767 0.000 7.380) 22.039 1.644 ( 4.560 0.000 -7.628) 8.887 1.789 ( -7.880 0.000 -4.515) 9.081 1.851 ( 10.485 0.000 -16.242) 19.332 1.974 ( 18.850 0.000 9.532) 21.123 2.095 ( 7.082 0.000 -3.504) 7.901 2.114 ( 1.870 0.000 1.063) 2.152 2.159 ( -2.480 0.000 -0.626) 2.558 2.300 ( 1.504 0.000 -2.259) 2.714 2.330 ( -1.591 0.000 -2.989) 3.386 2.585 ( 3.859 0.000 3.468) 5.189 2.629 ( -16.715 0.000 8.617) 18.806 2.632 ( -0.825 0.000 2.702) 2.825 2.747 ( 4.922 0.000 12.404) 13.345 2.785 ( 6.571 0.000 7.188) 9.739 2.866 ( 2.227 0.000 0.018) 2.227 2.917 ( -2.770 0.000 -1.456) 3.130 2.991 ( -1.591 0.000 5.203) 5.441 3.085 ( -8.108 0.000 6.237) 10.230 3.324 ( 14.271 0.000 -6.524) 15.692 3.483 ( 8.868 0.000 -3.820) 9.656 3.536 ( 9.041 0.000 -16.054) 18.425 3.657 ( -15.240 0.000 -10.382) 18.440 3.838 ( -17.001 0.000 -7.703) 18.665 3.918 ( -16.043 0.000 -17.895) 24.034 4.621 ( 4.855 0.000 11.807) 12.766 4.779 ( -8.917 0.000 6.625) 11.109 5.003 ( 2.540 0.000 -0.222) 2.550 5.023 ( 1.487 0.000 -0.612) 1.608 5.190 ( 2.954 0.000 0.802) 3.061 5.222 ( -1.139 0.000 0.791) 1.387 5.687 ( 4.410 0.000 0.672) 4.460 5.718 ( 1.783 0.000 0.291) 1.806 6.044 ( 4.591 0.000 4.520) 6.443 6.193 ( -9.303 0.000 2.838) 9.726 6.548 ( 8.400 0.000 -1.949) 8.623 6.739 ( -9.584 0.000 -6.647) 11.663 7.558 ( 5.197 0.000 6.114) 8.024 7.678 ( -6.930 0.000 6.041) 9.193 7.774 ( 7.163 0.000 4.521) 8.470 7.866 ( -3.244 0.000 2.994) 4.414 7.955 ( 3.990 0.000 -9.918) 10.690 8.040 ( 5.998 0.000 7.337) 9.477 8.054 ( -6.242 0.000 -8.579) 10.610 8.169 ( -5.441 0.000 1.585) 5.667 8.797 ( 5.963 0.000 3.390) 6.859 8.839 ( 1.960 0.000 2.084) 2.861 9.267 ( -0.175 0.000 0.957) 0.973 9.304 ( -3.457 0.000 -0.453) 3.486 9.446 ( 7.180 0.000 -0.194) 7.183 9.482 ( 1.106 0.000 -0.094) 1.110 9.558 ( -0.193 0.000 -2.598) 2.605 9.633 ( -6.093 0.000 -2.681) 6.657 10.154 ( 0.618 0.000 1.224) 1.372 10.169 ( -0.952 0.000 0.654) 1.155 10.644 ( 18.155 0.000 2.482) 18.324 10.862 ( 3.567 0.000 2.239) 4.211 11.037 ( 13.410 0.000 1.144) 13.459 11.038 ( 0.463 0.000 -1.399) 1.474 11.050 ( -0.740 0.000 -1.796) 1.942 11.237 ( 3.080 0.000 -3.262) 4.486 11.445 ( -12.952 0.000 5.840) 14.207 11.475 ( 0.470 0.000 1.817) 1.877 11.484 ( -0.459 0.000 1.519) 1.587 11.538 ( -20.446 0.000 2.349) 20.581 11.555 ( 0.379 0.000 -0.777) 0.865 11.560 ( -0.130 0.000 -0.998) 1.007 12.283 ( 1.164 0.000 -4.196) 4.355 12.338 ( -4.487 0.000 -5.080) 6.778 13.332 ( 1.850 0.000 1.467) 2.361 13.386 ( -3.642 0.000 -0.508) 3.677 13.917 ( 2.006 0.000 0.298) 2.028 13.944 ( -0.730 0.000 -0.684) 1.001 15.601 ( 3.170 0.000 0.947) 3.308 15.654 ( -1.322 0.000 -0.344) 1.366 15.879 ( 1.672 0.000 -1.183) 2.048 15.925 ( -2.352 0.000 -1.315) 2.694 16.716 ( 1.025 0.000 -1.690) 1.976 16.750 ( -2.560 0.000 -1.918) 3.199 16.956 ( 1.553 0.000 2.701) 3.116 16.992 ( -1.977 0.000 1.891) 2.736 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.000 17.615 19.048) 25.945 0.831 ( 0.000 18.912 19.320) 27.035 1.492 ( 0.000 38.507 26.408) 46.692 1.630 ( 0.000 16.872 -14.223) 22.067 1.682 ( 0.000 6.391 -16.606) 17.794 2.072 ( 0.000 16.425 0.739) 16.441 2.122 ( 0.000 2.072 -0.568) 2.149 2.192 ( 0.000 14.985 -3.508) 15.390 2.307 ( 0.000 10.171 3.315) 10.698 2.307 ( 0.000 13.093 4.816) 13.951 2.354 ( 0.000 3.801 10.450) 11.119 2.355 ( 0.000 7.733 3.771) 8.603 2.455 ( 0.000 13.156 -0.302) 13.160 2.555 ( 0.000 7.164 -8.082) 10.800 2.584 ( 0.000 7.600 -8.224) 11.198 2.601 ( 0.000 15.397 5.694) 16.416 2.734 ( 0.000 1.202 -2.755) 3.005 2.737 ( 0.000 8.845 -3.421) 9.483 2.809 ( 0.000 13.353 -2.928) 13.671 3.056 ( 0.000 16.391 0.344) 16.394 3.138 ( 0.000 6.826 -3.654) 7.742 3.165 ( 0.000 9.857 -4.355) 10.776 3.190 ( 0.000 14.698 -11.026) 18.374 3.538 ( 0.000 1.789 11.589) 11.726 3.920 ( 0.000 -2.797 4.744) 5.507 4.055 ( 0.000 -0.361 -2.692) 2.716 4.098 ( 0.000 2.424 -1.803) 3.021 4.355 ( 0.000 -0.212 0.794) 0.822 4.663 ( 0.000 -1.469 6.194) 6.366 4.763 ( 0.000 -1.296 0.714) 1.480 4.848 ( 0.000 -2.044 -2.998) 3.628 4.988 ( 0.000 -2.598 -3.039) 3.999 5.113 ( 0.000 -2.640 5.032) 5.683 5.225 ( 0.000 -2.348 0.262) 2.362 5.482 ( 0.000 -3.055 0.310) 3.071 5.496 ( 0.000 -0.167 -1.357) 1.367 6.129 ( 0.000 0.225 -0.992) 1.017 6.137 ( 0.000 -1.408 -0.922) 1.683 6.736 ( 0.000 -5.106 3.419) 6.145 6.786 ( 0.000 -6.138 0.237) 6.142 7.296 ( 0.000 -0.344 7.291) 7.299 7.583 ( 0.000 3.571 -6.052) 7.027 7.818 ( 0.000 0.939 -6.134) 6.206 7.885 ( 0.000 -1.954 -7.948) 8.185 8.081 ( 0.000 15.897 3.226) 16.221 8.216 ( 0.000 -1.078 -0.200) 1.097 8.254 ( 0.000 1.499 2.739) 3.122 8.417 ( 0.000 9.871 -7.035) 12.122 8.725 ( 0.000 16.587 4.933) 17.305 8.848 ( 0.000 13.663 0.034) 13.663 9.163 ( 0.000 3.424 6.337) 7.203 9.393 ( 0.000 6.881 1.334) 7.009 9.522 ( 0.000 5.387 -2.626) 5.992 9.554 ( 0.000 12.020 -0.584) 12.034 9.646 ( 0.000 4.311 3.080) 5.298 9.957 ( 0.000 -3.036 10.296) 10.734 10.048 ( 0.000 -8.187 -6.086) 10.201 10.064 ( 0.000 0.574 1.749) 1.841 10.306 ( 0.000 9.202 -12.203) 15.284 10.364 ( 0.000 -3.810 -8.142) 8.989 10.832 ( 0.000 5.849 -3.382) 6.756 10.938 ( 0.000 -10.217 -2.614) 10.546 10.990 ( 0.000 0.848 1.255) 1.515 11.117 ( 0.000 12.332 -1.865) 12.472 11.396 ( 0.000 -4.885 2.454) 5.467 11.443 ( 0.000 -6.854 -0.665) 6.886 11.496 ( 0.000 -1.549 1.225) 1.975 11.549 ( 0.000 3.230 -1.255) 3.465 11.919 ( 0.000 -1.260 3.688) 3.897 12.202 ( 0.000 -0.175 -8.379) 8.381 12.474 ( 0.000 4.301 4.325) 6.100 12.577 ( 0.000 1.745 -0.649) 1.862 13.298 ( 0.000 -5.816 3.527) 6.801 13.471 ( 0.000 2.146 -3.842) 4.400 13.767 ( 0.000 -8.043 0.172) 8.045 13.825 ( 0.000 -10.813 -2.437) 11.084 15.578 ( 0.000 0.195 -2.321) 2.329 15.603 ( 0.000 -3.035 -1.643) 3.451 15.791 ( 0.000 -5.471 0.721) 5.518 15.838 ( 0.000 -5.020 0.532) 5.048 16.640 ( 0.000 -7.694 0.590) 7.717 16.749 ( 0.000 -11.732 -1.990) 11.900 16.843 ( 0.000 -9.257 5.600) 10.819 16.941 ( 0.000 -10.959 3.420) 11.481 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 14.854 13.766 15.493) 25.499 0.974 ( 13.252 15.323 16.727) 26.272 1.656 ( 7.614 17.688 -5.787) 20.108 1.706 ( 11.830 22.016 -0.960) 25.011 1.766 ( 10.537 15.608 -0.181) 18.832 1.978 ( -12.086 13.646 2.045) 18.343 2.046 ( -13.550 7.772 0.048) 15.621 2.099 ( -5.980 9.778 1.015) 11.507 2.160 ( -0.501 4.899 -2.665) 5.600 2.274 ( -1.156 15.676 0.679) 15.734 2.367 ( -0.342 15.129 -0.121) 15.133 2.440 ( 0.025 12.991 -1.138) 13.041 2.503 ( 7.137 5.415 6.908) 11.313 2.508 ( 0.845 9.024 2.425) 9.382 2.668 ( 4.289 14.466 2.846) 15.355 2.711 ( 4.968 5.924 -0.988) 7.795 2.773 ( 1.671 8.939 -3.927) 9.906 2.832 ( 3.819 11.009 0.670) 11.672 2.875 ( 13.452 1.763 -5.302) 14.567 3.042 ( -0.477 15.159 0.383) 15.172 3.154 ( -0.419 9.917 3.658) 10.579 3.170 ( 1.666 9.871 2.653) 10.356 3.250 ( 5.264 11.980 -22.511) 26.038 3.475 ( -3.980 2.470 5.536) 7.252 3.699 ( -19.664 2.195 13.636) 24.030 3.902 ( -10.686 -0.754 -11.222) 15.514 4.087 ( -5.392 -1.659 -8.700) 10.369 4.208 ( -13.907 0.984 -2.506) 14.166 4.637 ( -4.607 -0.752 4.776) 6.678 4.806 ( 2.377 -1.875 1.293) 3.292 4.879 ( 7.749 -1.693 2.360) 8.275 5.037 ( -6.877 -2.670 6.118) 9.585 5.077 ( 5.441 -2.415 -1.974) 6.272 5.206 ( -1.299 -3.445 0.339) 3.697 5.564 ( 5.715 -1.007 -0.600) 5.834 5.575 ( 7.156 -3.610 -0.391) 8.025 6.042 ( -3.192 0.474 2.324) 3.977 6.232 ( 4.715 -0.878 -5.560) 7.342 6.521 ( -12.448 -4.438 7.806) 15.349 6.795 ( -3.995 -5.126 -3.669) 7.463 7.455 ( 11.344 -3.203 2.845) 12.126 7.632 ( 5.718 3.054 -2.306) 6.880 7.803 ( -1.784 -1.604 -5.628) 6.118 7.906 ( 1.154 -1.043 -5.133) 5.363 8.062 ( -1.179 16.766 3.209) 17.111 8.189 ( -4.263 7.292 4.701) 9.667 8.256 ( 1.135 3.544 0.218) 3.728 8.338 ( -6.683 11.721 -4.833) 14.332 8.794 ( 6.762 13.883 4.139) 15.987 8.882 ( 3.992 11.861 1.349) 12.587 9.280 ( 10.338 3.623 3.657) 11.548 9.384 ( -0.790 7.090 1.842) 7.368 9.494 ( -2.309 4.920 0.056) 5.436 9.521 ( -2.625 11.279 -1.625) 11.693 9.626 ( -1.965 3.656 0.851) 4.237 9.804 ( -8.951 0.841 0.812) 9.027 10.069 ( 1.765 -3.923 1.723) 4.634 10.145 ( 3.666 -4.717 0.181) 5.977 10.404 ( 10.066 6.569 -6.613) 13.719 10.563 ( 16.561 -2.349 -4.661) 17.364 10.864 ( 2.408 -4.487 -2.526) 5.685 10.928 ( -0.851 -8.335 -1.955) 8.603 11.005 ( 0.573 -0.387 1.446) 1.603 11.150 ( 3.802 6.012 -3.562) 7.955 11.377 ( -1.828 -7.742 1.654) 8.125 11.443 ( -0.691 -5.153 -1.003) 5.295 11.501 ( 0.391 -0.147 1.242) 1.310 11.534 ( -1.448 1.701 -0.298) 2.254 11.806 ( -12.560 0.444 4.565) 13.371 12.015 ( -19.168 3.641 -0.767) 19.526 12.384 ( -1.870 6.647 1.661) 7.102 12.515 ( -4.922 4.140 -2.351) 6.848 13.285 ( -0.328 -4.279 3.597) 5.600 13.443 ( -3.711 -1.448 -2.604) 4.759 13.799 ( 2.715 -7.077 -0.150) 7.581 13.841 ( 1.256 -10.022 -1.849) 10.268 15.556 ( -0.252 -1.041 -0.288) 1.109 15.622 ( 1.163 -2.668 -3.096) 4.249 15.808 ( 1.107 -4.957 0.781) 5.138 15.879 ( 2.046 -5.204 -0.396) 5.606 16.629 ( -0.713 -7.878 -0.207) 7.913 16.712 ( -3.114 -9.958 -1.339) 10.519 16.844 ( 0.484 -8.862 4.413) 9.912 16.928 ( -0.938 -9.280 2.396) 9.630 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 18.213 8.612 10.171) 22.568 1.303 ( 19.292 13.282 11.057) 25.900 1.633 ( -17.255 5.130 4.826) 18.637 1.660 ( -15.108 14.309 5.025) 21.407 1.841 ( 5.032 16.253 -8.100) 18.844 1.906 ( 5.260 6.296 -14.637) 16.780 1.993 ( -4.564 15.119 -5.996) 16.893 2.083 ( -5.424 7.259 -9.592) 13.196 2.188 ( 15.259 15.262 8.197) 23.086 2.283 ( 0.798 14.438 -0.776) 14.481 2.366 ( 7.985 18.398 5.330) 20.752 2.458 ( 2.491 13.574 -2.145) 13.966 2.486 ( -1.096 13.962 -1.447) 14.079 2.706 ( -0.778 7.911 9.950) 12.735 2.741 ( 3.525 10.248 7.541) 13.203 2.758 ( 1.264 7.715 3.999) 8.781 2.791 ( -2.447 6.695 8.860) 11.372 2.852 ( 2.285 11.347 5.932) 13.006 3.015 ( -1.228 5.450 2.898) 6.294 3.044 ( -1.040 10.887 1.633) 11.058 3.120 ( -1.934 16.962 -0.488) 17.079 3.168 ( -8.811 11.840 6.076) 15.960 3.345 ( 14.845 2.245 -4.839) 15.775 3.481 ( 4.886 -0.074 0.014) 4.887 3.577 ( 10.582 5.236 -20.923) 24.024 3.660 ( -14.078 0.371 -9.657) 17.076 3.811 ( -15.456 -2.356 -7.134) 17.185 3.941 ( -15.980 3.480 -18.294) 24.539 4.623 ( 4.858 0.313 11.511) 12.498 4.771 ( -8.106 -0.414 7.171) 10.831 4.968 ( 2.081 -3.292 0.845) 3.985 4.987 ( 1.367 -3.187 0.410) 3.492 5.157 ( 2.620 -2.890 0.486) 3.931 5.184 ( -0.814 -3.312 0.563) 3.457 5.662 ( 3.607 -2.496 0.365) 4.401 5.678 ( 2.371 -3.675 0.258) 4.381 6.048 ( 4.172 0.777 4.687) 6.322 6.186 ( -8.791 -0.133 3.381) 9.420 6.479 ( 7.719 -4.698 -2.172) 9.294 6.658 ( -9.213 -5.408 -5.406) 11.973 7.623 ( 6.753 -0.802 -2.311) 7.183 7.738 ( -4.807 -1.080 -2.534) 5.540 7.790 ( 7.990 -1.129 -0.193) 8.072 7.891 ( -2.719 2.152 -1.451) 3.759 8.068 ( 1.719 12.108 2.641) 12.511 8.116 ( -2.981 11.260 5.223) 12.766 8.229 ( -2.348 13.151 -2.072) 13.519 8.244 ( -2.631 8.729 0.482) 9.130 8.935 ( 6.068 11.915 3.387) 13.794 8.969 ( 2.920 11.589 2.713) 12.255 9.362 ( 0.227 8.384 1.631) 8.544 9.414 ( -4.567 10.175 0.281) 11.157 9.488 ( 7.461 4.165 -0.469) 8.558 9.516 ( 2.008 3.211 -0.271) 3.797 9.579 ( -1.803 2.042 -1.771) 3.249 9.659 ( -6.504 2.610 -2.165) 7.335 10.130 ( 3.598 -2.586 1.871) 4.810 10.172 ( -0.489 -0.660 0.587) 1.010 10.646 ( 13.529 0.025 4.095) 14.135 10.821 ( 0.872 -3.914 6.666) 7.779 10.905 ( 1.597 -10.574 -2.242) 10.926 10.919 ( 0.956 -9.430 -2.996) 9.941 11.081 ( 12.795 2.460 -3.048) 13.381 11.226 ( 2.623 -1.784 -3.570) 4.776 11.351 ( 0.283 -9.709 -2.034) 9.924 11.388 ( -4.893 -5.931 -1.300) 7.798 11.443 ( -8.883 -2.683 0.555) 9.296 11.484 ( -5.928 -0.337 -0.300) 5.945 11.578 ( -3.839 5.378 4.267) 7.866 11.634 ( -14.540 5.861 3.011) 15.963 12.403 ( 2.352 8.649 -1.847) 9.151 12.448 ( -2.301 7.629 -2.842) 8.460 13.295 ( 1.636 -4.348 1.507) 4.884 13.355 ( -4.419 -3.835 -0.663) 5.888 13.845 ( 1.681 -7.087 -0.375) 7.294 13.858 ( 0.263 -8.323 -0.857) 8.371 15.583 ( 2.665 -1.930 1.012) 3.442 15.629 ( -1.194 -2.498 -0.075) 2.769 15.833 ( 1.944 -4.330 -0.919) 4.835 15.878 ( -1.900 -4.486 -1.020) 4.978 16.629 ( 0.837 -8.168 -1.756) 8.396 16.659 ( -2.157 -8.601 -1.936) 9.077 16.866 ( 1.719 -8.415 2.734) 9.014 16.903 ( -1.767 -8.436 1.699) 8.784 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 21.276 10.855) 23.885 1.252 ( 0.000 20.878 10.823) 23.517 1.835 ( 0.000 9.529 -14.683) 17.505 1.938 ( 0.000 11.889 -17.807) 21.411 2.211 ( 0.000 5.471 -1.595) 5.699 2.300 ( 0.000 14.876 8.152) 16.963 2.381 ( 0.000 8.798 6.219) 10.774 2.473 ( 0.000 24.164 0.500) 24.169 2.475 ( 0.000 8.312 1.731) 8.490 2.501 ( 0.000 21.993 3.910) 22.338 2.660 ( 0.000 6.724 -0.972) 6.794 2.728 ( 0.000 23.290 -3.392) 23.535 2.744 ( 0.000 11.201 6.923) 13.168 2.752 ( 0.000 14.365 -1.383) 14.432 2.812 ( 0.000 18.238 -0.324) 18.241 2.845 ( 0.000 17.969 -1.536) 18.034 2.946 ( 0.000 15.586 5.153) 16.416 3.094 ( 0.000 23.526 -2.344) 23.643 3.183 ( 0.000 16.386 -3.733) 16.806 3.224 ( 0.000 7.278 11.075) 13.253 3.401 ( 0.000 15.450 8.240) 17.510 3.557 ( 0.000 25.434 -23.028) 34.310 3.660 ( 0.000 11.017 7.163) 13.140 3.672 ( 0.000 27.635 -3.573) 27.865 3.895 ( 0.000 0.488 -5.818) 5.839 4.114 ( 0.000 8.573 5.296) 10.077 4.168 ( 0.000 3.461 -7.894) 8.619 4.375 ( 0.000 3.813 5.499) 6.692 4.629 ( 0.000 -2.026 5.500) 5.861 4.735 ( 0.000 -1.939 -3.349) 3.869 4.808 ( 0.000 -0.090 0.722) 0.728 4.934 ( 0.000 -2.181 -2.603) 3.396 5.031 ( 0.000 -5.310 3.838) 6.552 5.160 ( 0.000 -3.631 -1.441) 3.906 5.398 ( 0.000 -4.920 2.274) 5.420 5.485 ( 0.000 -1.041 -1.965) 2.224 6.125 ( 0.000 0.558 0.341) 0.654 6.147 ( 0.000 1.747 -0.706) 1.884 6.647 ( 0.000 -3.037 -0.308) 3.053 6.657 ( 0.000 -5.824 -0.599) 5.854 7.299 ( 0.000 0.499 4.719) 4.745 7.590 ( 0.000 -1.957 -9.249) 9.454 7.764 ( 0.000 -9.496 -0.650) 9.518 7.823 ( 0.000 -0.604 -1.541) 1.655 8.203 ( 0.000 1.723 -0.371) 1.763 8.217 ( 0.000 1.454 -0.583) 1.566 8.539 ( 0.000 17.518 1.934) 17.625 8.629 ( 0.000 9.062 -2.699) 9.456 9.088 ( 0.000 13.889 1.472) 13.966 9.145 ( 0.000 10.982 -0.561) 10.996 9.258 ( 0.000 6.105 9.955) 11.678 9.564 ( 0.000 10.004 0.337) 10.009 9.594 ( 0.000 -2.807 2.791) 3.958 9.628 ( 0.000 4.245 1.986) 4.686 9.817 ( 0.000 -2.922 3.105) 4.263 9.865 ( 0.000 -8.034 -4.795) 9.356 9.928 ( 0.000 8.421 -1.360) 8.530 10.076 ( 0.000 -16.191 -3.983) 16.674 10.285 ( 0.000 18.084 2.584) 18.268 10.599 ( 0.000 12.474 -3.869) 13.060 10.748 ( 0.000 -0.925 -0.204) 0.947 10.770 ( 0.000 0.226 -3.356) 3.364 11.149 ( 0.000 7.464 -0.077) 7.464 11.334 ( 0.000 -2.681 -1.443) 3.045 11.340 ( 0.000 -0.810 -0.012) 0.810 11.372 ( 0.000 10.839 -3.747) 11.468 11.491 ( 0.000 1.399 5.543) 5.717 11.649 ( 0.000 5.277 -1.495) 5.485 11.883 ( 0.000 -2.135 2.756) 3.486 12.183 ( 0.000 -2.064 -10.950) 11.142 12.544 ( 0.000 0.821 4.881) 4.949 12.593 ( 0.000 -0.515 0.999) 1.124 13.116 ( 0.000 -11.230 6.149) 12.804 13.440 ( 0.000 -6.778 -6.357) 9.293 13.535 ( 0.000 -13.796 -0.983) 13.831 13.536 ( 0.000 -15.369 -0.986) 15.401 15.490 ( 0.000 -7.924 -1.272) 8.025 15.525 ( 0.000 -4.962 -3.677) 6.176 15.648 ( 0.000 -7.848 2.617) 8.273 15.739 ( 0.000 -4.259 0.108) 4.260 16.424 ( 0.000 -12.600 -0.278) 12.603 16.463 ( 0.000 -15.447 -0.864) 15.471 16.583 ( 0.000 -15.296 4.777) 16.024 16.664 ( 0.000 -15.846 1.797) 15.948 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 8.860 18.619 10.069) 22.947 1.336 ( 8.404 18.657 10.654) 23.070 1.870 ( 2.614 8.973 -14.299) 17.082 1.997 ( 5.280 11.153 -15.937) 20.156 2.143 ( -12.962 7.671 -2.530) 15.273 2.200 ( -1.129 4.915 -3.729) 6.272 2.319 ( -11.010 11.127 4.439) 16.271 2.473 ( 2.656 13.971 3.847) 14.733 2.505 ( 7.813 31.394 10.047) 33.876 2.561 ( 4.921 15.588 9.388) 18.850 2.719 ( -0.814 23.809 -1.982) 23.906 2.731 ( -2.639 12.563 -4.737) 13.683 2.776 ( 2.396 18.188 -3.000) 18.589 2.816 ( 5.005 14.654 3.788) 15.942 2.841 ( 5.316 8.759 1.918) 10.424 2.899 ( 9.052 12.068 0.137) 15.087 2.973 ( 2.468 13.069 5.192) 14.278 3.094 ( 1.782 16.405 -0.425) 16.507 3.175 ( -0.476 15.803 0.936) 15.837 3.276 ( 3.670 10.925 3.640) 12.086 3.386 ( -0.997 17.646 8.191) 19.480 3.594 ( -2.804 12.967 -0.674) 13.284 3.638 ( 3.225 23.867 -10.517) 26.280 3.653 ( -0.957 24.884 -7.474) 26.000 3.798 ( -9.536 5.692 -2.411) 11.364 3.953 ( -12.756 11.004 0.143) 16.847 4.055 ( -12.336 -1.313 -7.852) 14.682 4.307 ( -5.994 9.190 -1.426) 11.065 4.628 ( -3.573 -0.027 2.631) 4.437 4.748 ( 4.948 -3.759 1.193) 6.327 4.858 ( 5.144 0.562 3.251) 6.111 4.957 ( -5.557 -4.460 7.111) 10.067 5.023 ( 3.940 -2.647 -3.211) 5.731 5.120 ( -2.211 -4.601 -0.730) 5.157 5.477 ( 6.021 -5.894 0.766) 8.460 5.528 ( 3.587 -2.575 -1.363) 4.621 6.072 ( -1.719 2.610 2.612) 4.073 6.227 ( 4.990 0.615 -3.654) 6.215 6.448 ( -11.078 -2.275 4.749) 12.266 6.695 ( -3.409 -4.261 -5.284) 7.596 7.388 ( 7.742 -2.962 3.002) 8.816 7.623 ( 2.832 -3.245 -8.218) 9.278 7.739 ( -1.448 -6.267 0.899) 6.494 7.840 ( 1.075 -3.068 -1.225) 3.475 8.253 ( 3.469 4.068 -0.049) 5.346 8.279 ( 4.389 1.769 -0.558) 4.765 8.513 ( -1.873 16.135 1.519) 16.314 8.578 ( -4.073 9.467 -2.500) 10.605 9.129 ( 2.623 14.786 2.876) 15.290 9.168 ( 4.533 12.488 1.860) 13.415 9.375 ( 10.533 3.849 5.996) 12.717 9.509 ( -0.331 5.135 0.406) 5.162 9.596 ( -1.111 6.060 4.510) 7.635 9.674 ( 0.369 3.567 -0.421) 3.610 9.785 ( -2.592 3.276 0.252) 4.185 9.858 ( -5.340 9.020 -2.817) 10.855 9.968 ( 6.874 -11.620 0.491) 13.510 10.002 ( -1.688 -6.692 -1.663) 7.099 10.484 ( 13.960 7.124 0.077) 15.673 10.647 ( 4.768 9.506 -1.626) 10.758 10.712 ( -2.322 -3.623 -1.366) 4.515 10.783 ( 0.199 -0.951 -1.415) 1.716 11.084 ( -3.588 5.250 -1.471) 6.527 11.221 ( -5.919 -1.156 -1.421) 6.196 11.338 ( -2.526 5.019 -2.931) 6.338 11.384 ( -1.738 -0.342 -2.398) 2.981 11.529 ( 2.353 2.957 4.589) 5.945 11.605 ( -3.948 4.570 0.724) 6.082 11.817 ( -6.883 1.005 3.659) 7.860 12.069 ( -13.558 1.749 -6.613) 15.186 12.503 ( 0.569 3.275 2.891) 4.405 12.574 ( -1.339 0.712 -0.535) 1.608 13.118 ( -0.023 -11.355 4.713) 12.294 13.339 ( -7.538 -9.197 -3.208) 12.317 13.558 ( 2.547 -16.496 -1.058) 16.725 13.598 ( 2.973 -12.030 -2.247) 12.594 15.489 ( 0.264 -5.942 -0.485) 5.967 15.533 ( 1.214 -5.430 -3.192) 6.415 15.672 ( 1.796 -7.857 2.229) 8.362 15.759 ( 1.124 -5.669 0.041) 5.779 16.407 ( -1.152 -13.034 -0.838) 13.111 16.448 ( -1.596 -15.030 -1.018) 15.149 16.594 ( 1.225 -14.783 4.041) 15.374 16.671 ( 0.331 -15.124 1.247) 15.179 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 12.834 13.545 6.258) 19.681 1.581 ( 15.743 13.412 9.876) 22.919 1.789 ( -11.282 9.482 1.118) 14.780 1.942 ( -12.420 12.196 1.544) 17.475 2.063 ( -0.453 8.253 -9.728) 12.765 2.135 ( -3.820 8.703 -11.101) 14.614 2.220 ( 8.189 11.615 -9.539) 17.116 2.406 ( -8.452 17.793 -6.239) 20.663 2.616 ( 2.772 21.748 2.997) 22.128 2.667 ( -2.000 18.557 1.264) 18.707 2.724 ( 6.164 9.309 6.174) 12.758 2.772 ( 8.477 14.304 5.001) 17.363 2.818 ( -2.579 14.845 1.544) 15.146 2.899 ( -0.337 8.220 5.598) 9.951 2.964 ( 9.693 16.113 5.838) 19.690 2.985 ( 2.315 19.173 7.298) 20.646 3.017 ( 1.063 17.041 4.152) 17.571 3.157 ( 0.753 12.970 3.510) 13.458 3.277 ( 7.440 15.474 -0.942) 17.196 3.285 ( -2.096 14.232 3.468) 14.798 3.426 ( 7.128 12.293 1.721) 14.314 3.513 ( -3.586 6.893 4.187) 8.826 3.553 ( -4.422 16.755 -4.509) 17.905 3.614 ( -4.026 25.277 -0.706) 25.606 3.718 ( -10.491 9.779 -4.867) 15.146 3.740 ( -13.196 4.351 -7.585) 15.830 3.858 ( 9.643 16.305 -17.576) 25.841 4.109 ( -13.500 13.687 -15.502) 24.696 4.643 ( 5.230 1.818 9.722) 11.188 4.779 ( -6.822 1.570 6.877) 9.813 4.874 ( 2.515 -5.515 1.650) 6.282 4.916 ( -0.071 -2.817 1.713) 3.298 5.085 ( 1.859 -3.714 0.104) 4.155 5.100 ( -0.135 -4.490 0.002) 4.492 5.572 ( 3.059 -6.469 0.064) 7.156 5.585 ( 1.555 -5.090 -0.447) 5.341 6.089 ( 3.744 3.317 4.505) 6.732 6.208 ( -7.730 2.447 3.958) 9.022 6.400 ( 7.255 -2.779 -3.611) 8.567 6.566 ( -8.717 -3.366 -6.111) 11.165 7.534 ( 6.496 -6.331 -1.171) 9.146 7.628 ( -3.060 -7.458 -4.824) 9.395 7.770 ( 4.576 -2.278 1.052) 5.219 7.841 ( -1.691 -3.757 -0.274) 4.129 8.290 ( 0.927 6.799 0.405) 6.874 8.314 ( -0.863 5.595 0.223) 5.666 8.498 ( 0.297 12.765 0.427) 12.775 8.517 ( -1.846 10.936 -0.980) 11.134 9.212 ( 5.520 12.441 4.461) 14.323 9.263 ( 2.429 15.205 3.759) 15.850 9.541 ( 3.354 6.753 0.651) 7.568 9.570 ( 4.775 3.107 3.187) 6.527 9.618 ( 6.493 8.047 -0.230) 10.343 9.635 ( -2.162 3.971 -1.294) 4.703 9.686 ( -8.321 11.197 0.245) 13.952 9.755 ( -4.461 7.192 -2.010) 8.698 10.035 ( 3.976 -6.263 1.376) 7.545 10.073 ( 1.797 -9.437 1.432) 9.713 10.658 ( 2.239 -5.455 -2.081) 6.252 10.698 ( -1.298 -9.303 -2.113) 9.627 10.728 ( 5.468 3.439 2.732) 7.013 10.800 ( 0.191 4.689 4.185) 6.288 11.102 ( 5.484 -0.581 -4.256) 6.966 11.157 ( -1.000 -3.466 -4.402) 5.692 11.311 ( 1.623 4.622 -2.108) 5.333 11.338 ( 1.807 1.559 -4.199) 4.830 11.445 ( -10.719 2.768 1.795) 11.216 11.523 ( -7.815 3.951 -0.963) 8.809 11.708 ( -2.005 7.248 5.720) 9.448 11.768 ( -11.186 7.161 2.526) 13.520 12.557 ( 2.978 5.240 -0.664) 6.064 12.577 ( 0.735 4.168 -1.322) 4.434 13.124 ( 1.406 -12.312 1.956) 12.546 13.198 ( -6.220 -11.570 -0.658) 13.152 13.607 ( 2.053 -15.489 -1.160) 15.667 13.627 ( 0.106 -13.830 -1.780) 13.944 15.515 ( 2.244 -4.798 0.510) 5.321 15.549 ( -0.449 -5.121 -0.665) 5.184 15.708 ( 2.284 -7.372 0.702) 7.749 15.754 ( -1.770 -6.901 -0.048) 7.124 16.397 ( 0.267 -13.729 -1.748) 13.842 16.415 ( -1.470 -14.403 -1.675) 14.575 16.627 ( 2.061 -14.136 2.479) 14.499 16.663 ( -1.279 -14.223 1.171) 14.328 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 0.000 18.458 5.570) 19.280 1.658 ( 0.000 17.797 4.833) 18.442 2.043 ( 0.000 10.030 -6.883) 12.165 2.164 ( 0.000 10.755 -11.602) 15.820 2.311 ( 0.000 4.262 -6.288) 7.596 2.349 ( 0.000 0.519 4.938) 4.965 2.492 ( 0.000 4.171 -6.365) 7.610 2.606 ( 0.000 2.347 -0.906) 2.516 2.737 ( 0.000 6.130 -3.199) 6.914 2.763 ( 0.000 7.295 0.346) 7.303 2.912 ( 0.000 7.695 12.858) 14.985 3.013 ( 0.000 11.675 2.561) 11.952 3.104 ( 0.000 16.092 0.371) 16.097 3.256 ( 0.000 22.358 2.391) 22.485 3.272 ( 0.000 23.674 2.233) 23.779 3.290 ( 0.000 16.602 1.861) 16.706 3.379 ( 0.000 6.581 -1.477) 6.745 3.423 ( 0.000 9.219 8.029) 12.225 3.425 ( 0.000 33.808 0.027) 33.808 3.605 ( 0.000 27.172 2.742) 27.310 3.646 ( 0.000 6.774 10.426) 12.433 3.839 ( 0.000 3.919 -7.870) 8.792 4.079 ( 0.000 18.670 4.188) 19.134 4.129 ( 0.000 28.097 -14.925) 31.815 4.154 ( 0.000 1.545 -9.861) 9.981 4.292 ( 0.000 24.349 -3.529) 24.603 4.454 ( 0.000 21.163 1.648) 21.227 4.562 ( 0.000 -4.197 4.263) 5.982 4.571 ( 0.000 12.200 4.569) 13.028 4.677 ( 0.000 -0.579 -5.531) 5.561 4.901 ( 0.000 -5.640 1.470) 5.828 4.927 ( 0.000 11.110 2.277) 11.341 4.928 ( 0.000 1.476 -0.027) 1.476 5.116 ( 0.000 1.804 -3.597) 4.024 5.295 ( 0.000 -4.114 5.144) 6.587 5.456 ( 0.000 -1.041 -2.180) 2.416 6.167 ( 0.000 3.532 1.034) 3.680 6.204 ( 0.000 3.687 -0.338) 3.702 6.565 ( 0.000 -2.776 0.289) 2.791 6.615 ( 0.000 -0.123 -2.311) 2.314 7.308 ( 0.000 0.076 2.725) 2.726 7.523 ( 0.000 -13.116 6.474) 14.627 7.529 ( 0.000 -3.515 -7.336) 8.135 7.767 ( 0.000 -5.609 -1.652) 5.847 8.267 ( 0.000 4.631 -0.515) 4.660 8.278 ( 0.000 4.095 -1.114) 4.244 8.753 ( 0.000 2.789 0.382) 2.815 8.800 ( 0.000 7.406 -1.674) 7.593 9.182 ( 0.000 -1.907 1.626) 2.506 9.182 ( 0.000 -4.921 0.295) 4.930 9.334 ( 0.000 -6.513 7.941) 10.270 9.494 ( 0.000 -1.340 1.865) 2.296 9.618 ( 0.000 -6.889 -2.580) 7.356 9.747 ( 0.000 -10.012 -5.379) 11.366 9.764 ( 0.000 5.311 -0.773) 5.367 9.783 ( 0.000 1.123 0.192) 1.139 9.916 ( 0.000 13.783 1.417) 13.855 10.084 ( 0.000 9.103 -3.077) 9.609 10.724 ( 0.000 22.538 3.889) 22.871 10.818 ( 0.000 7.973 5.041) 9.433 10.919 ( 0.000 10.859 -0.032) 10.859 10.962 ( 0.000 15.115 -3.347) 15.481 11.258 ( 0.000 0.947 0.177) 0.963 11.333 ( 0.000 2.104 -0.807) 2.254 11.347 ( 0.000 3.637 0.383) 3.657 11.540 ( 0.000 4.896 -3.987) 6.314 11.596 ( 0.000 10.316 8.004) 13.057 11.734 ( 0.000 2.359 0.202) 2.368 11.847 ( 0.000 -0.515 0.654) 0.832 12.082 ( 0.000 -9.316 -13.818) 16.665 12.457 ( 0.000 -8.301 3.952) 9.194 12.549 ( 0.000 -3.765 -0.488) 3.796 12.877 ( 0.000 -11.936 10.861) 16.137 13.168 ( 0.000 -14.642 -3.212) 14.990 13.235 ( 0.000 -13.956 -4.101) 14.546 13.260 ( 0.000 -14.655 -4.223) 15.251 15.298 ( 0.000 -9.896 -0.638) 9.916 15.406 ( 0.000 -5.808 -5.254) 7.832 15.489 ( 0.000 -7.108 5.241) 8.831 15.661 ( 0.000 -3.418 -0.951) 3.548 16.131 ( 0.000 -16.202 0.680) 16.216 16.155 ( 0.000 -12.633 -0.521) 12.644 16.241 ( 0.000 -17.065 3.070) 17.339 16.308 ( 0.000 -17.887 0.419) 17.892 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 4.776 17.353 5.649) 18.864 1.706 ( 4.946 16.516 5.277) 18.031 2.054 ( 0.151 8.388 -8.080) 11.648 2.197 ( 3.451 8.618 -8.435) 12.543 2.284 ( -4.566 6.014 -2.884) 8.084 2.306 ( -2.063 4.880 -9.466) 10.848 2.451 ( -4.138 3.796 5.303) 7.724 2.654 ( 2.369 9.242 3.231) 10.073 2.765 ( 8.391 -1.105 0.235) 8.467 2.853 ( -1.560 9.189 -4.313) 10.270 2.914 ( 0.747 7.572 2.580) 8.034 2.962 ( 1.267 6.829 8.636) 11.082 3.139 ( 0.853 13.421 -1.682) 13.552 3.212 ( -3.675 20.362 1.418) 20.739 3.245 ( 0.344 16.395 1.471) 16.464 3.273 ( 0.658 18.289 3.530) 18.638 3.350 ( -3.464 10.166 1.760) 10.883 3.391 ( -1.472 16.967 -0.932) 17.056 3.504 ( 4.873 21.811 4.398) 22.777 3.623 ( 1.164 24.437 4.894) 24.950 3.688 ( 1.369 10.218 3.724) 10.961 3.846 ( 2.367 10.204 -3.914) 11.182 3.990 ( -8.215 17.029 3.459) 19.221 4.037 ( -10.317 2.059 -4.709) 11.526 4.182 ( 4.899 25.865 -13.259) 29.476 4.232 ( -3.542 26.332 -5.130) 27.060 4.370 ( -7.923 23.980 1.828) 25.321 4.600 ( 1.608 17.402 0.967) 17.503 4.612 ( -2.362 -3.025 -2.532) 4.598 4.679 ( 6.046 0.022 1.158) 6.156 4.881 ( -1.772 -2.281 3.756) 4.739 4.950 ( 2.182 7.166 0.835) 7.538 4.983 ( 3.707 1.343 0.559) 3.982 5.068 ( -3.752 2.666 -1.675) 4.898 5.343 ( 4.000 -6.172 2.816) 7.875 5.464 ( 0.537 -2.837 -1.877) 3.444 6.152 ( -0.138 5.052 2.154) 5.493 6.258 ( 4.512 2.167 -1.847) 5.336 6.435 ( -8.689 1.109 2.831) 9.206 6.628 ( -2.694 -2.075 -4.912) 5.974 7.333 ( 2.621 -2.559 2.704) 4.553 7.487 ( -1.648 -10.396 0.768) 10.554 7.596 ( 4.603 -5.338 -1.266) 7.162 7.766 ( -0.062 -5.458 -1.755) 5.734 8.314 ( 2.963 2.233 -0.119) 3.712 8.342 ( 5.946 4.774 -1.345) 7.743 8.690 ( -5.008 1.574 0.292) 5.257 8.747 ( -4.092 6.846 -2.120) 8.253 9.236 ( 5.474 -4.380 2.204) 7.349 9.320 ( 9.723 1.945 0.413) 9.925 9.364 ( 6.766 -3.327 7.000) 10.288 9.567 ( 7.147 -2.244 3.546) 8.287 9.687 ( -1.662 -7.792 -0.095) 7.967 9.732 ( 3.315 -2.440 0.311) 4.128 9.764 ( -1.565 1.365 0.315) 2.100 9.806 ( 5.602 3.566 -5.729) 8.771 9.951 ( 3.458 10.236 -1.233) 10.874 10.058 ( -2.867 11.027 -2.988) 11.779 10.687 ( -11.694 -0.049 4.952) 12.700 10.762 ( -2.945 12.968 2.308) 13.497 10.874 ( 0.553 10.868 -0.867) 10.917 10.967 ( 1.859 16.254 -3.016) 16.636 11.193 ( -5.630 1.878 -0.358) 5.946 11.242 ( -6.423 3.786 1.494) 7.604 11.361 ( -0.477 2.547 -2.778) 3.799 11.453 ( -5.782 3.467 -3.437) 7.567 11.649 ( 3.356 9.166 7.040) 12.035 11.725 ( -2.341 6.618 -0.181) 7.023 11.860 ( 0.992 3.264 3.046) 4.574 12.083 ( -4.435 -1.134 -10.314) 11.284 12.460 ( 2.562 -7.858 3.206) 8.865 12.517 ( 0.286 -6.503 -0.050) 6.510 12.865 ( -1.927 -12.379 6.972) 14.338 13.099 ( -9.064 -12.561 -3.511) 15.883 13.202 ( 2.459 -16.632 -1.752) 16.904 13.309 ( 1.006 -15.739 -4.329) 16.354 15.322 ( 2.396 -9.170 -0.534) 9.493 15.419 ( 1.095 -5.686 -4.719) 7.470 15.506 ( 1.733 -7.433 4.769) 9.000 15.655 ( -0.864 -4.516 -0.334) 4.610 16.116 ( -1.356 -15.728 0.193) 15.787 16.127 ( -2.094 -13.898 -0.278) 14.058 16.263 ( 2.166 -16.566 2.750) 16.932 16.333 ( 1.747 -16.632 -0.083) 16.724 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 7.647 13.408 3.368) 15.798 1.850 ( 8.201 12.321 6.537) 16.181 1.991 ( -3.893 9.397 -2.733) 10.532 2.159 ( -11.522 8.205 -0.134) 14.146 2.234 ( 0.456 8.369 -6.038) 10.330 2.298 ( -3.977 8.112 -4.010) 9.884 2.409 ( 11.262 6.246 -7.426) 14.866 2.664 ( -12.920 7.066 -5.888) 15.860 2.811 ( 9.442 4.721 7.710) 13.072 2.873 ( 2.119 4.654 2.519) 5.701 2.974 ( -0.252 4.670 5.337) 7.096 2.994 ( 0.915 8.020 4.617) 9.300 3.136 ( -0.629 13.920 2.788) 14.211 3.166 ( -2.568 19.666 2.135) 19.947 3.254 ( 2.900 6.824 -1.933) 7.662 3.332 ( -1.838 18.479 -1.727) 18.651 3.351 ( 5.848 16.739 -0.480) 17.738 3.393 ( 7.884 4.429 -3.766) 9.796 3.536 ( -6.984 6.552 -0.815) 9.611 3.567 ( -5.341 7.203 -3.401) 9.590 3.722 ( 2.537 21.008 5.179) 21.786 3.826 ( -7.669 19.420 5.882) 21.692 3.865 ( 2.463 20.653 3.350) 21.068 3.944 ( 0.129 20.075 2.444) 20.223 4.157 ( -3.018 25.395 -4.494) 25.966 4.199 ( -6.921 26.001 -0.445) 26.910 4.318 ( 7.795 23.206 -11.835) 27.191 4.476 ( -8.021 16.945 -9.677) 21.098 4.695 ( 4.737 4.723 5.383) 8.586 4.758 ( -0.164 -2.319 3.495) 4.198 4.865 ( 1.981 5.064 0.749) 5.489 4.940 ( -3.986 5.931 -0.697) 7.180 5.034 ( 1.355 1.170 1.309) 2.218 5.039 ( 0.890 1.417 1.967) 2.583 5.419 ( 3.387 -7.567 0.490) 8.305 5.463 ( -1.022 -6.022 -0.988) 6.188 6.181 ( 3.325 5.418 3.422) 7.220 6.280 ( -6.834 4.055 4.011) 8.901 6.371 ( 7.121 0.351 -3.817) 8.087 6.519 ( -7.565 -1.171 -5.234) 9.274 7.396 ( 3.361 -6.736 1.604) 7.697 7.451 ( -2.269 -9.355 0.862) 9.665 7.691 ( 4.616 -5.037 -1.111) 6.922 7.754 ( -1.731 -5.407 -1.546) 5.884 8.366 ( 2.464 1.698 0.604) 3.052 8.407 ( -0.539 4.260 -1.077) 4.427 8.634 ( 0.531 1.817 -0.597) 1.985 8.678 ( -3.024 5.256 -2.243) 6.465 9.348 ( 6.633 -0.870 5.634) 8.746 9.450 ( -0.241 0.643 3.944) 4.003 9.577 ( 9.732 -1.882 2.434) 10.206 9.636 ( 3.352 -0.227 0.288) 3.372 9.682 ( -0.537 1.157 3.667) 3.882 9.778 ( 7.139 4.334 1.865) 8.558 9.797 ( -0.526 -1.039 0.117) 1.170 9.908 ( -1.295 3.009 -0.084) 3.276 9.986 ( 1.871 10.546 -5.281) 11.942 10.028 ( 0.930 10.748 -3.602) 11.373 10.489 ( -4.795 -9.077 0.113) 10.267 10.571 ( -10.958 -3.815 -1.948) 11.765 10.962 ( 4.012 12.602 0.011) 13.226 11.021 ( 0.599 13.736 0.940) 13.781 11.068 ( -3.710 -3.974 -1.541) 5.651 11.116 ( -6.026 -0.262 -0.408) 6.045 11.376 ( 5.803 4.947 0.623) 7.651 11.449 ( 2.963 8.348 -2.266) 9.144 11.613 ( -6.519 11.532 -2.202) 13.429 11.647 ( -5.753 7.721 -0.735) 9.657 11.877 ( 0.931 8.953 6.047) 10.844 11.928 ( -6.317 8.487 1.641) 10.706 12.570 ( 6.368 -5.797 -0.036) 8.612 12.596 ( 5.205 -3.382 -1.342) 6.351 12.811 ( -1.720 -16.846 2.751) 17.156 12.907 ( -9.813 -14.933 -1.169) 17.907 13.255 ( 2.703 -17.210 -2.171) 17.555 13.299 ( -1.664 -16.961 -3.345) 17.368 15.380 ( 3.219 -7.918 -0.572) 8.566 15.426 ( -1.020 -6.891 -2.224) 7.312 15.555 ( 3.283 -6.678 2.649) 7.899 15.619 ( -2.888 -5.862 0.876) 6.593 16.093 ( -0.718 -15.286 -0.544) 15.313 16.095 ( -1.002 -15.437 -0.364) 15.473 16.313 ( 2.631 -15.457 1.454) 15.746 16.347 ( -0.586 -15.462 0.129) 15.473 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 13.042 1.450) 13.123 1.973 ( 0.000 12.723 0.575) 12.736 2.228 ( 0.000 7.520 -0.260) 7.524 2.341 ( 0.000 4.357 -2.913) 5.241 2.355 ( 0.000 0.159 2.402) 2.407 2.432 ( 0.000 8.844 -10.352) 13.616 2.586 ( 0.000 4.895 -5.386) 7.278 2.596 ( 0.000 -2.083 0.841) 2.246 2.889 ( 0.000 8.617 -1.798) 8.803 2.898 ( 0.000 4.872 8.509) 9.805 3.064 ( 0.000 9.332 -0.957) 9.381 3.139 ( 0.000 2.755 5.851) 6.468 3.377 ( 0.000 8.421 5.938) 10.304 3.412 ( 0.000 0.136 2.506) 2.510 3.537 ( 0.000 6.724 -2.888) 7.318 3.559 ( 0.000 5.208 5.928) 7.891 3.671 ( 0.000 12.714 -2.964) 13.055 3.701 ( 0.000 0.897 2.117) 2.299 3.725 ( 0.000 18.573 3.516) 18.903 3.858 ( 0.000 12.819 -3.561) 13.304 3.969 ( 0.000 9.077 -6.934) 11.422 4.101 ( 0.000 -3.332 -7.480) 8.189 4.311 ( 0.000 24.631 6.241) 25.409 4.362 ( 0.000 7.651 5.353) 9.337 4.463 ( 0.000 3.018 4.382) 5.321 4.534 ( 0.000 -1.253 -3.183) 3.421 4.633 ( 0.000 13.196 -4.550) 13.958 4.681 ( 0.000 -0.917 -2.195) 2.379 4.888 ( 0.000 15.597 -5.236) 16.452 4.897 ( 0.000 13.331 -2.110) 13.497 4.970 ( 0.000 9.046 1.027) 9.104 4.985 ( 0.000 19.274 -0.803) 19.291 5.244 ( 0.000 16.455 4.643) 17.097 5.326 ( 0.000 17.145 -1.072) 17.178 5.361 ( 0.000 15.200 3.165) 15.526 5.513 ( 0.000 8.366 -2.346) 8.688 6.260 ( 0.000 5.117 0.362) 5.130 6.292 ( 0.000 4.637 -0.766) 4.700 6.545 ( 0.000 0.622 1.880) 1.980 6.635 ( 0.000 1.745 -2.135) 2.757 7.252 ( 0.000 -12.073 7.808) 14.378 7.291 ( 0.000 -2.104 3.083) 3.733 7.449 ( 0.000 -4.673 -3.956) 6.123 7.586 ( 0.000 -10.832 -3.989) 11.543 8.366 ( 0.000 4.144 0.548) 4.180 8.387 ( 0.000 6.587 -0.194) 6.590 8.765 ( 0.000 -0.850 1.425) 1.659 8.857 ( 0.000 -0.887 -4.083) 4.178 9.060 ( 0.000 -5.686 2.376) 6.162 9.097 ( 0.000 -1.624 -2.374) 2.877 9.249 ( 0.000 -0.138 6.183) 6.184 9.450 ( 0.000 -7.539 -1.132) 7.623 9.459 ( 0.000 -4.088 -0.620) 4.135 9.575 ( 0.000 -5.135 -2.781) 5.839 9.795 ( 0.000 0.855 1.439) 1.674 9.932 ( 0.000 8.850 -6.539) 11.003 10.204 ( 0.000 11.405 1.321) 11.481 10.337 ( 0.000 14.008 -2.369) 14.207 10.852 ( 0.000 -5.624 12.068) 13.314 11.105 ( 0.000 5.687 2.772) 6.327 11.133 ( 0.000 9.742 0.196) 9.744 11.184 ( 0.000 11.370 -0.318) 11.374 11.195 ( 0.000 -4.829 6.839) 8.372 11.371 ( 0.000 -0.605 -2.847) 2.910 11.500 ( 0.000 9.177 -5.231) 10.563 11.550 ( 0.000 -8.061 -0.295) 8.066 11.737 ( 0.000 -1.237 -3.061) 3.301 11.762 ( 0.000 -7.530 -7.627) 10.718 11.886 ( 0.000 3.577 5.388) 6.467 11.919 ( 0.000 9.523 0.491) 9.535 12.314 ( 0.000 -4.276 3.282) 5.390 12.461 ( 0.000 -3.789 -2.560) 4.572 12.605 ( 0.000 -12.213 8.993) 15.166 12.875 ( 0.000 -18.203 -4.578) 18.770 12.947 ( 0.000 -10.426 -3.254) 10.922 12.988 ( 0.000 -10.900 -6.306) 12.593 15.116 ( 0.000 -7.083 0.205) 7.086 15.307 ( 0.000 -3.484 -7.912) 8.645 15.368 ( 0.000 -4.423 7.201) 8.451 15.597 ( 0.000 -2.876 -0.919) 3.019 15.808 ( 0.000 -15.181 3.150) 15.504 15.903 ( 0.000 -14.422 -0.751) 14.441 15.939 ( 0.000 -8.421 1.295) 8.520 15.973 ( 0.000 -13.095 -0.141) 13.095 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 2.968 12.828 1.607) 13.264 2.001 ( 2.881 11.975 1.304) 12.385 2.203 ( -2.375 6.087 -3.315) 7.327 2.325 ( 0.120 3.552 -0.420) 3.579 2.367 ( 0.790 1.942 1.064) 2.351 2.431 ( -0.440 7.331 -11.473) 13.622 2.529 ( -2.994 3.059 2.790) 5.109 2.735 ( 6.925 -0.841 -1.164) 7.072 2.854 ( 2.173 9.031 1.904) 9.482 2.984 ( 4.252 3.495 -0.845) 5.569 3.032 ( -1.004 7.685 0.057) 7.750 3.080 ( -7.736 5.534 7.770) 12.282 3.310 ( 0.165 2.083 0.857) 2.258 3.424 ( -7.301 7.169 -2.948) 10.648 3.458 ( 0.468 5.156 7.856) 9.409 3.559 ( -0.630 9.004 -2.223) 9.296 3.669 ( -2.190 6.910 -1.506) 7.403 3.685 ( -3.180 13.562 3.630) 14.395 3.766 ( 1.317 6.683 1.077) 6.896 3.846 ( -1.215 16.094 -0.999) 16.171 4.015 ( 2.817 5.361 -3.279) 6.887 4.042 ( -0.515 4.028 -3.528) 5.379 4.271 ( -6.935 6.332 4.951) 10.616 4.344 ( 1.728 20.056 3.994) 20.522 4.467 ( 1.242 7.215 0.774) 7.362 4.537 ( 0.268 -1.084 -2.863) 3.073 4.702 ( -0.117 1.850 -4.957) 5.292 4.707 ( 5.391 16.191 -4.076) 17.545 4.860 ( 1.382 8.508 2.253) 8.909 4.904 ( -2.164 19.994 1.617) 20.176 4.968 ( 1.618 10.452 -4.603) 11.535 5.054 ( 4.110 11.763 -2.036) 12.625 5.241 ( -0.103 16.337 4.124) 16.850 5.302 ( -2.215 17.763 -0.420) 17.906 5.368 ( 0.902 14.745 2.452) 14.974 5.497 ( -1.635 8.553 -2.035) 8.942 6.268 ( 0.936 5.813 0.600) 5.918 6.313 ( 2.032 3.241 -1.319) 4.046 6.487 ( -4.529 3.479 2.782) 6.352 6.612 ( -3.145 0.442 -2.623) 4.119 7.250 ( -0.203 -10.469 6.266) 12.203 7.275 ( -0.607 -3.901 2.761) 4.817 7.500 ( 4.067 -4.869 -2.732) 6.907 7.599 ( 0.999 -9.996 -3.498) 10.638 8.371 ( 0.884 3.418 1.393) 3.795 8.455 ( 5.843 5.931 -1.687) 8.495 8.687 ( -6.063 -0.318 1.423) 6.236 8.838 ( -2.475 2.681 -5.446) 6.555 9.091 ( 5.370 -6.907 3.875) 9.569 9.236 ( 11.043 -5.056 -0.595) 12.159 9.344 ( 6.789 -1.432 5.915) 9.117 9.490 ( 5.172 -3.846 -0.004) 6.445 9.553 ( 5.652 -5.283 -1.994) 7.989 9.603 ( 5.592 -5.311 -0.737) 7.747 9.809 ( 1.641 2.480 1.194) 3.204 9.959 ( 3.125 8.506 -6.725) 11.285 10.199 ( -0.428 9.416 0.539) 9.441 10.336 ( -0.177 14.536 -2.790) 14.802 10.619 ( -17.981 -5.420 7.486) 20.217 10.856 ( -18.925 -2.507 -2.464) 19.249 11.100 ( -8.583 -4.966 6.264) 11.729 11.173 ( -3.771 8.540 3.827) 10.089 11.249 ( 3.071 8.899 -0.826) 9.450 11.308 ( -3.714 4.068 -0.905) 5.582 11.444 ( -2.082 3.422 -0.384) 4.024 11.604 ( 3.776 8.927 -6.123) 11.465 11.749 ( 3.825 -3.681 -0.020) 5.309 11.853 ( 3.022 -0.643 -2.853) 4.206 11.958 ( 5.735 4.186 5.380) 8.908 12.022 ( 9.268 3.441 -0.975) 9.934 12.310 ( 0.741 -5.703 1.382) 5.914 12.352 ( -8.141 -4.177 0.924) 9.196 12.593 ( -2.712 -12.838 5.911) 14.391 12.801 ( -7.508 -17.331 -3.198) 19.156 12.940 ( 0.352 -9.253 -4.168) 10.154 12.997 ( 0.017 -12.924 -5.953) 14.229 15.149 ( 3.187 -6.885 -0.209) 7.590 15.298 ( -0.723 -5.573 -4.188) 7.009 15.393 ( 2.199 -3.612 3.161) 5.280 15.563 ( -2.901 -4.840 -0.806) 5.700 15.802 ( -0.547 -14.201 2.997) 14.524 15.883 ( -3.520 -9.411 1.720) 10.194 15.949 ( 4.010 -12.832 0.117) 13.445 16.027 ( 3.006 -12.065 -0.919) 12.468 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 3.525 10.616 0.960) 11.227 2.077 ( 2.805 9.537 3.381) 10.500 2.159 ( 0.495 6.727 -4.512) 8.115 2.279 ( -7.058 4.001 -2.442) 8.472 2.385 ( 1.717 5.327 0.991) 5.684 2.446 ( -3.999 4.878 1.092) 6.401 2.507 ( 9.716 4.232 -3.895) 11.290 2.725 ( -9.827 -0.205 -0.868) 9.867 2.947 ( 1.871 6.593 -2.555) 7.314 2.951 ( 2.913 3.737 0.085) 4.739 3.049 ( 2.075 4.394 2.929) 5.674 3.106 ( 2.572 6.593 4.000) 8.130 3.281 ( 0.101 2.485 -0.878) 2.637 3.370 ( 1.210 4.413 -5.211) 6.935 3.460 ( -2.842 5.508 6.925) 9.294 3.531 ( -2.713 8.581 1.372) 9.104 3.562 ( -3.148 4.863 -1.474) 5.978 3.624 ( -3.567 6.012 1.429) 7.135 3.760 ( 0.411 16.283 -1.862) 16.394 3.801 ( -3.046 17.699 -0.973) 17.985 4.016 ( 3.318 10.532 3.827) 11.687 4.125 ( -6.929 10.166 4.679) 13.163 4.203 ( 8.951 3.841 -1.101) 9.802 4.335 ( -3.824 5.686 0.382) 6.863 4.511 ( 2.721 8.632 -2.814) 9.478 4.545 ( -0.377 2.120 -2.888) 3.602 4.686 ( 1.848 17.177 -0.834) 17.296 4.772 ( -3.810 21.601 -0.331) 21.937 4.854 ( 2.622 11.402 1.181) 11.759 4.901 ( -0.207 5.626 1.748) 5.895 5.029 ( 4.178 10.609 -5.421) 12.625 5.091 ( -1.057 8.232 -5.126) 9.755 5.243 ( 0.396 17.187 3.727) 17.591 5.261 ( -1.512 17.731 2.224) 17.934 5.401 ( 2.443 12.728 0.636) 12.976 5.453 ( -2.698 9.869 -1.028) 10.282 6.300 ( 2.319 5.694 0.907) 6.215 6.344 ( -0.798 2.443 -0.788) 2.688 6.434 ( 1.330 5.010 1.534) 5.406 6.519 ( -5.677 1.249 -1.859) 6.103 7.255 ( 0.663 -7.889 4.040) 8.888 7.268 ( -0.498 -6.799 3.256) 7.555 7.573 ( 3.083 -6.285 -2.255) 7.355 7.608 ( -0.465 -8.323 -2.753) 8.779 8.412 ( 3.476 3.324 1.485) 5.034 8.497 ( -4.004 4.743 -1.108) 6.305 8.654 ( 4.912 1.217 -0.908) 5.142 8.763 ( -5.125 3.731 -4.775) 7.936 9.230 ( 7.741 -7.434 5.993) 12.292 9.350 ( -3.553 -7.141 5.729) 9.820 9.504 ( 12.654 -5.125 -1.116) 13.698 9.593 ( 4.573 -2.697 -2.042) 5.688 9.666 ( 2.224 -0.861 1.761) 2.965 9.715 ( 1.418 -6.769 2.320) 7.295 9.911 ( 10.304 7.715 1.761) 12.992 10.039 ( 1.817 9.289 -2.030) 9.680 10.202 ( 1.966 2.174 -4.232) 5.148 10.298 ( -8.707 1.102 -2.801) 9.212 10.342 ( -1.763 8.531 -0.315) 8.717 10.489 ( -16.391 -2.847 -3.671) 17.037 10.919 ( -6.199 -8.367 4.662) 11.409 10.974 ( -10.808 -5.363 1.833) 12.204 11.283 ( 1.031 10.892 -0.774) 10.968 11.299 ( -0.313 10.118 -1.211) 10.195 11.512 ( 8.325 6.577 2.445) 10.888 11.647 ( -1.694 7.527 -2.705) 8.176 11.799 ( 0.101 5.605 1.134) 5.720 11.825 ( -3.023 6.857 -0.708) 7.527 12.058 ( 4.369 7.406 4.020) 9.492 12.128 ( -2.273 10.416 0.314) 10.666 12.313 ( 7.843 -14.801 2.857) 16.993 12.404 ( 8.664 -12.769 -0.729) 15.448 12.487 ( -7.694 -13.421 3.201) 15.798 12.613 ( -11.206 -15.123 -1.847) 18.912 12.958 ( 1.333 -11.112 -4.677) 12.130 12.984 ( -1.189 -12.613 -5.373) 13.761 15.220 ( 3.669 -6.841 -1.203) 7.855 15.276 ( -1.896 -6.900 -2.339) 7.529 15.444 ( 3.000 -4.569 1.055) 5.567 15.504 ( -3.078 -5.898 -0.064) 6.653 15.795 ( 0.249 -12.247 2.775) 12.560 15.822 ( -2.510 -10.403 2.436) 10.975 16.027 ( 3.350 -11.572 -0.210) 12.049 16.060 ( 0.079 -11.676 -0.953) 11.715 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 8.205 -0.992) 8.265 2.185 ( 0.000 7.940 -1.163) 8.025 2.334 ( 0.000 1.430 -1.214) 1.876 2.379 ( 0.000 3.838 4.021) 5.558 2.400 ( 0.000 2.425 -3.901) 4.594 2.542 ( 0.000 -2.892 2.554) 3.858 2.584 ( 0.000 4.368 -4.892) 6.558 2.674 ( 0.000 2.897 -3.306) 4.396 3.017 ( 0.000 7.549 9.628) 12.234 3.073 ( 0.000 7.866 -2.093) 8.140 3.191 ( 0.000 3.759 6.928) 7.882 3.252 ( 0.000 6.798 -4.625) 8.223 3.399 ( 0.000 -0.311 3.275) 3.290 3.482 ( 0.000 4.070 6.033) 7.277 3.582 ( 0.000 0.303 -0.910) 0.959 3.644 ( 0.000 1.300 -2.012) 2.396 3.707 ( 0.000 -0.559 -1.187) 1.312 3.794 ( 0.000 2.107 -2.571) 3.324 3.970 ( 0.000 -2.140 -7.549) 7.846 3.983 ( 0.000 4.509 5.351) 6.998 4.056 ( 0.000 0.164 -6.304) 6.306 4.158 ( 0.000 1.713 -0.845) 1.910 4.274 ( 0.000 2.227 6.246) 6.631 4.486 ( 0.000 -4.353 -2.500) 5.020 4.500 ( 0.000 3.663 -1.245) 3.869 4.558 ( 0.000 -3.176 -1.550) 3.535 4.755 ( 0.000 0.844 2.151) 2.311 4.760 ( 0.000 1.567 2.435) 2.896 5.127 ( 0.000 22.785 1.932) 22.867 5.254 ( 0.000 18.591 -3.437) 18.906 5.361 ( 0.000 18.289 1.236) 18.331 5.428 ( 0.000 19.072 -1.656) 19.144 5.618 ( 0.000 18.135 3.000) 18.381 5.709 ( 0.000 17.867 -0.344) 17.870 5.756 ( 0.000 18.881 -0.702) 18.895 5.769 ( 0.000 13.938 -2.189) 14.109 6.365 ( 0.000 4.729 -1.232) 4.887 6.379 ( 0.000 3.448 -1.862) 3.919 6.574 ( 0.000 1.457 3.557) 3.844 6.667 ( 0.000 0.497 -0.279) 0.571 7.060 ( 0.000 -5.191 3.737) 6.396 7.235 ( 0.000 -3.015 5.105) 5.929 7.289 ( 0.000 -9.595 -5.179) 10.904 7.419 ( 0.000 -5.148 -1.889) 5.484 8.447 ( 0.000 3.808 2.906) 4.790 8.514 ( 0.000 4.946 0.454) 4.967 8.731 ( 0.000 -2.358 1.931) 3.048 8.852 ( 0.000 1.037 -4.399) 4.520 8.975 ( 0.000 -3.161 0.840) 3.270 9.105 ( 0.000 1.220 -6.946) 7.052 9.291 ( 0.000 4.154 4.779) 6.332 9.365 ( 0.000 0.644 1.559) 1.686 9.366 ( 0.000 -3.134 0.023) 3.134 9.518 ( 0.000 -0.749 -3.237) 3.323 9.855 ( 0.000 5.295 4.035) 6.657 10.104 ( 0.000 6.151 -9.959) 11.705 10.304 ( 0.000 -3.101 5.091) 5.962 10.616 ( 0.000 11.459 -5.489) 12.706 10.700 ( 0.000 -4.791 9.563) 10.696 10.963 ( 0.000 -23.562 -5.897) 24.289 11.040 ( 0.000 -8.238 6.160) 10.287 11.186 ( 0.000 -7.573 -1.936) 7.817 11.194 ( 0.000 2.750 8.535) 8.967 11.360 ( 0.000 -7.549 3.201) 8.199 11.488 ( 0.000 10.977 0.301) 10.981 11.634 ( 0.000 -1.762 -5.445) 5.723 11.715 ( 0.000 -2.187 2.669) 3.451 11.717 ( 0.000 2.925 -3.050) 4.226 11.903 ( 0.000 -7.973 1.473) 8.108 11.961 ( 0.000 2.885 3.673) 4.670 12.366 ( 0.000 -9.455 -4.553) 10.494 12.367 ( 0.000 5.495 -0.628) 5.530 12.510 ( 0.000 3.548 1.314) 3.783 12.548 ( 0.000 -6.574 1.742) 6.801 12.747 ( 0.000 -12.567 -4.950) 13.507 12.785 ( 0.000 -6.795 -4.899) 8.377 15.022 ( 0.000 -1.892 0.285) 1.913 15.262 ( 0.000 -1.156 -9.651) 9.720 15.306 ( 0.000 -1.768 7.448) 7.655 15.511 ( 0.000 -12.502 2.033) 12.666 15.540 ( 0.000 -3.076 -1.089) 3.263 15.651 ( 0.000 -9.463 -4.125) 10.323 15.799 ( 0.000 -4.177 3.532) 5.470 15.827 ( 0.000 -3.011 2.851) 4.147 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 2.482 8.135 -1.257) 8.597 2.200 ( 1.593 7.286 -0.935) 7.517 2.308 ( -2.874 3.898 -2.007) 5.242 2.370 ( 0.730 1.583 -1.552) 2.334 2.399 ( -0.407 1.847 3.110) 3.639 2.539 ( -0.703 -1.551 3.700) 4.073 2.556 ( -1.566 3.853 -5.796) 7.133 2.724 ( 2.078 -0.979 -3.502) 4.188 2.989 ( -0.722 4.621 7.898) 9.179 3.100 ( 1.044 7.280 -2.700) 7.834 3.171 ( -0.829 5.446 6.160) 8.264 3.248 ( -3.601 10.571 -3.629) 11.743 3.354 ( 2.957 3.253 1.369) 4.605 3.492 ( -2.418 -1.331 6.742) 7.285 3.532 ( -3.942 3.871 -3.431) 6.503 3.633 ( 1.940 0.485 -0.949) 2.213 3.732 ( -4.110 1.060 -3.527) 5.518 3.830 ( -3.506 2.445 6.128) 7.471 3.878 ( 2.740 1.866 5.707) 6.600 4.028 ( 3.795 -3.628 -8.803) 10.250 4.086 ( 1.888 0.968 -3.831) 4.379 4.165 ( 0.195 8.806 -2.516) 9.161 4.321 ( 4.308 3.149 2.962) 6.103 4.430 ( -4.140 0.815 -3.577) 5.532 4.497 ( -2.010 1.558 1.088) 2.766 4.571 ( 0.132 -4.209 -1.823) 4.589 4.764 ( 1.142 -3.542 2.055) 4.252 4.766 ( 1.122 -2.415 2.386) 3.575 5.137 ( 1.292 23.012 1.984) 23.134 5.269 ( 1.649 17.921 -3.506) 18.335 5.337 ( -2.591 18.404 1.592) 18.654 5.422 ( -1.023 17.541 -1.547) 17.639 5.630 ( 1.249 18.959 2.620) 19.180 5.708 ( -0.258 18.923 0.022) 18.924 5.757 ( 0.469 17.951 -1.517) 18.021 5.777 ( 0.473 16.003 -1.731) 16.103 6.375 ( 1.148 4.506 -1.266) 4.819 6.392 ( 1.123 4.044 -1.894) 4.605 6.555 ( -1.565 2.679 3.296) 4.526 6.631 ( -3.303 0.718 0.125) 3.382 7.076 ( 1.565 -4.972 3.762) 6.428 7.201 ( -2.088 -3.418 2.970) 4.986 7.348 ( 4.154 -9.063 -2.972) 10.403 7.434 ( 1.192 -5.735 -1.889) 6.155 8.457 ( 1.347 4.822 2.901) 5.786 8.566 ( 5.194 4.226 -0.155) 6.698 8.727 ( -3.564 4.379 0.522) 5.670 8.855 ( 3.097 -1.083 -4.173) 5.308 9.003 ( 2.136 -2.124 1.365) 3.307 9.144 ( 5.159 -4.009 -4.521) 7.945 9.314 ( 0.042 0.012 4.761) 4.761 9.414 ( 5.117 -4.261 -0.500) 6.678 9.457 ( 7.678 -0.917 1.661) 7.909 9.577 ( 6.308 1.273 -1.599) 6.631 9.890 ( 3.986 5.368 3.050) 7.349 10.115 ( 1.216 2.191 -9.886) 10.198 10.221 ( -7.499 -3.622 5.287) 9.865 10.504 ( -13.736 -5.676 -0.142) 14.863 10.639 ( -1.127 11.425 -2.497) 11.748 10.718 ( -14.722 -6.186 -3.130) 16.273 10.995 ( -8.470 -4.489 13.106) 16.237 11.166 ( -10.643 -6.267 1.209) 12.410 11.290 ( 7.077 -3.383 -1.546) 7.995 11.387 ( 5.412 -7.875 0.074) 9.555 11.463 ( 0.187 3.282 -0.198) 3.293 11.642 ( 0.232 1.289 1.120) 1.723 11.678 ( 2.840 -5.866 -2.371) 6.935 11.845 ( 1.060 1.168 -2.081) 2.611 11.877 ( 7.825 -6.754 7.180) 12.586 12.122 ( 9.588 3.028 1.594) 10.180 12.308 ( -5.204 -5.461 -3.570) 8.346 12.326 ( -4.122 2.127 -1.103) 4.767 12.477 ( -4.549 -0.848 2.050) 5.061 12.495 ( -4.061 -1.421 1.459) 4.543 12.746 ( 0.001 -11.823 -5.328) 12.968 12.776 ( -0.683 -7.621 -5.261) 9.286 15.053 ( 2.887 -2.367 -0.627) 3.786 15.209 ( -2.933 -2.966 -3.419) 5.393 15.333 ( 0.600 -2.869 0.111) 2.933 15.445 ( -5.252 -6.919 -1.420) 8.802 15.556 ( 3.224 -7.779 3.033) 8.950 15.736 ( 2.975 -7.157 -3.336) 8.439 15.768 ( 0.238 -2.990 5.252) 6.049 15.859 ( 1.901 -4.619 1.297) 5.160 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 1.166 6.918 -0.542) 7.036 2.243 ( -0.151 6.627 0.260) 6.633 2.272 ( 2.167 4.470 -3.910) 6.322 2.344 ( -3.401 2.686 -2.123) 4.826 2.440 ( 3.485 0.460 2.716) 4.442 2.499 ( -2.777 0.829 0.820) 3.011 2.571 ( 3.921 1.134 -0.240) 4.089 2.687 ( -5.825 -3.099 -1.502) 6.767 2.999 ( 1.057 2.368 3.158) 4.086 3.037 ( -3.441 3.432 -1.781) 5.176 3.234 ( 5.824 10.652 -1.404) 12.221 3.304 ( 6.525 11.088 1.242) 12.925 3.345 ( -3.564 5.091 -2.606) 6.739 3.442 ( -3.432 3.765 -2.263) 5.574 3.491 ( 0.431 -1.845 9.168) 9.361 3.595 ( -8.477 -0.516 3.363) 9.135 3.668 ( 2.410 3.975 -0.534) 4.679 3.725 ( -3.795 3.673 4.133) 6.706 3.980 ( 4.634 3.724 1.438) 6.117 4.057 ( -3.119 1.914 -2.001) 4.171 4.164 ( 7.316 1.542 -4.980) 8.984 4.210 ( 3.588 4.667 -4.838) 7.620 4.342 ( -4.352 4.153 -1.294) 6.153 4.351 ( -3.517 7.770 -0.950) 8.582 4.474 ( 2.358 -1.942 1.489) 3.398 4.538 ( -3.181 -2.778 -1.230) 4.399 4.793 ( 1.536 -8.991 1.558) 9.254 4.799 ( 1.173 -7.989 1.665) 8.245 5.183 ( 3.472 21.961 2.140) 22.337 5.262 ( -4.269 19.649 1.993) 20.206 5.320 ( 2.981 16.728 -3.008) 17.256 5.382 ( -3.002 15.975 -2.080) 16.387 5.662 ( 1.838 20.210 1.940) 20.386 5.693 ( -1.288 20.276 0.945) 20.339 5.773 ( 0.874 18.087 -1.814) 18.199 5.782 ( -0.015 17.487 -1.832) 17.583 6.404 ( 1.452 4.375 -1.702) 4.914 6.413 ( 0.666 4.428 -2.038) 4.920 6.532 ( -0.307 3.922 2.694) 4.768 6.562 ( -3.231 2.288 1.331) 4.177 7.115 ( 2.321 -4.548 3.722) 6.319 7.160 ( -2.236 -3.871 3.324) 5.571 7.418 ( 2.765 -8.404 -2.700) 9.250 7.447 ( -0.209 -7.056 -2.233) 7.404 8.512 ( 4.375 6.288 1.961) 7.907 8.617 ( -6.077 7.126 0.078) 9.366 8.700 ( 7.843 3.211 -1.787) 8.661 8.843 ( -5.768 4.168 -5.737) 9.141 9.109 ( 8.772 -3.837 5.550) 11.067 9.253 ( -4.775 -1.569 4.388) 6.672 9.337 ( 11.901 -10.241 1.066) 15.737 9.528 ( -3.867 -7.350 2.388) 8.641 9.552 ( 8.737 -4.965 -2.613) 10.383 9.668 ( -0.441 0.411 -1.588) 1.698 10.010 ( 3.677 -3.515 0.246) 5.093 10.058 ( -1.353 -7.897 0.034) 8.012 10.186 ( -0.305 -0.567 -0.714) 0.961 10.305 ( 1.276 10.140 -3.846) 10.920 10.454 ( -10.392 -4.202 -3.110) 11.633 10.570 ( -8.652 7.412 -7.719) 13.761 10.854 ( -3.103 3.832 10.368) 11.481 10.919 ( -9.902 1.982 6.398) 11.955 11.383 ( 2.877 -2.126 -5.134) 6.258 11.420 ( -1.054 -0.841 -6.861) 6.992 11.543 ( 5.919 -5.832 5.292) 9.852 11.641 ( -3.164 -6.592 2.869) 7.855 11.770 ( 7.267 -7.661 3.271) 11.055 11.865 ( -0.886 -4.756 3.313) 5.864 12.045 ( 8.553 -1.418 1.841) 8.863 12.190 ( -6.464 -2.547 -2.607) 7.421 12.250 ( -0.459 1.155 0.094) 1.246 12.286 ( 4.780 0.214 -0.890) 4.867 12.346 ( -5.737 -2.211 3.798) 7.227 12.415 ( -4.993 5.373 0.911) 7.391 12.750 ( 0.497 -10.473 -5.730) 11.949 12.763 ( -0.708 -9.055 -5.661) 10.702 15.115 ( 3.137 -3.178 -2.310) 5.028 15.164 ( -2.037 -3.650 -3.016) 5.155 15.334 ( 0.299 -6.235 -1.020) 6.325 15.364 ( -2.925 -7.311 -1.490) 8.015 15.626 ( 3.628 -3.684 4.648) 6.952 15.693 ( -3.331 -2.459 4.284) 5.958 15.846 ( 3.522 -6.231 -0.583) 7.181 15.880 ( -0.068 -5.899 -0.220) 5.904 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 0.000 3.591 -2.155) 4.188 2.312 ( 0.000 4.705 -0.209) 4.710 2.336 ( 0.000 -0.330 -1.618) 1.651 2.443 ( 0.000 -0.047 -3.675) 3.676 2.473 ( 0.000 4.325 2.134) 4.823 2.500 ( 0.000 0.846 3.206) 3.316 2.618 ( 0.000 -0.200 -1.251) 1.267 2.686 ( 0.000 -1.680 -2.339) 2.880 3.171 ( 0.000 2.720 0.880) 2.859 3.179 ( 0.000 6.269 6.712) 9.184 3.301 ( 0.000 4.248 4.460) 6.160 3.310 ( 0.000 0.537 1.546) 1.636 3.446 ( 0.000 5.649 3.728) 6.768 3.576 ( 0.000 2.812 0.467) 2.851 3.589 ( 0.000 1.136 -6.125) 6.230 3.643 ( 0.000 0.372 -1.549) 1.593 3.669 ( 0.000 -2.754 -4.035) 4.885 3.782 ( 0.000 -3.918 -4.877) 6.256 3.946 ( 0.000 1.173 0.165) 1.184 3.959 ( 0.000 -4.652 5.405) 7.132 4.023 ( 0.000 -5.733 2.359) 6.200 4.092 ( 0.000 3.687 -4.972) 6.190 4.340 ( 0.000 -9.082 0.238) 9.085 4.420 ( 0.000 -0.667 -2.790) 2.868 4.479 ( 0.000 0.803 -1.699) 1.879 4.548 ( 0.000 1.424 -2.270) 2.679 4.814 ( 0.000 4.260 4.497) 6.194 4.820 ( 0.000 4.004 3.414) 5.262 5.540 ( 0.000 14.267 -0.648) 14.282 5.561 ( 0.000 10.471 -0.224) 10.473 5.655 ( 0.000 10.084 2.290) 10.341 5.721 ( 0.000 8.887 -1.841) 9.075 5.932 ( 0.000 11.531 1.330) 11.607 6.002 ( 0.000 8.886 -0.521) 8.901 6.023 ( 0.000 10.603 -1.233) 10.675 6.069 ( 0.000 10.400 -1.475) 10.504 6.432 ( 0.000 1.949 -1.881) 2.709 6.446 ( 0.000 2.882 -1.924) 3.465 6.580 ( 0.000 -0.766 2.152) 2.285 6.636 ( 0.000 -2.907 -0.312) 2.923 7.060 ( 0.000 4.161 0.365) 4.177 7.153 ( 0.000 -3.040 -3.704) 4.792 7.181 ( 0.000 -2.013 5.412) 5.775 7.316 ( 0.000 -5.404 0.064) 5.405 8.522 ( 0.000 3.343 1.979) 3.885 8.573 ( 0.000 0.937 -0.912) 1.308 8.680 ( 0.000 -1.935 2.127) 2.876 8.796 ( 0.000 -5.820 -0.671) 5.859 9.018 ( 0.000 6.212 -2.250) 6.607 9.130 ( 0.000 1.311 -7.076) 7.197 9.353 ( 0.000 3.433 1.108) 3.607 9.435 ( 0.000 7.887 3.849) 8.776 9.467 ( 0.000 6.112 1.239) 6.237 9.529 ( 0.000 2.814 -2.757) 3.940 9.975 ( 0.000 -14.248 3.602) 14.696 9.997 ( 0.000 6.368 4.343) 7.708 10.341 ( 0.000 5.234 -3.100) 6.083 10.388 ( 0.000 -22.332 -3.818) 22.656 10.642 ( 0.000 -2.126 6.963) 7.281 10.862 ( 0.000 5.827 -3.802) 6.958 10.886 ( 0.000 -5.000 3.941) 6.367 11.009 ( 0.000 -11.110 -1.498) 11.210 11.154 ( 0.000 -8.637 0.799) 8.674 11.283 ( 0.000 4.624 9.553) 10.614 11.466 ( 0.000 -9.709 -7.385) 12.199 11.565 ( 0.000 -3.862 11.611) 12.236 11.686 ( 0.000 4.035 -0.253) 4.043 11.798 ( 0.000 2.280 -1.766) 2.884 11.858 ( 0.000 0.699 -7.065) 7.100 11.939 ( 0.000 -5.303 -5.016) 7.299 12.215 ( 0.000 -0.608 3.594) 3.645 12.420 ( 0.000 -1.840 -3.516) 3.969 12.512 ( 0.000 -6.267 0.624) 6.298 12.556 ( 0.000 3.032 1.127) 3.235 12.612 ( 0.000 3.147 -0.412) 3.174 12.654 ( 0.000 -5.737 -2.943) 6.448 15.031 ( 0.000 2.488 -1.147) 2.739 15.231 ( 0.000 -3.812 -7.546) 8.455 15.287 ( 0.000 -0.333 5.296) 5.306 15.309 ( 0.000 -4.987 -0.100) 4.988 15.494 ( 0.000 -1.582 -1.736) 2.349 15.516 ( 0.000 -3.841 -5.783) 6.942 15.765 ( 0.000 0.077 5.795) 5.795 15.792 ( 0.000 -0.851 4.506) 4.586 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 1.617 2.995 -2.041) 3.969 2.320 ( 1.087 4.486 -0.551) 4.648 2.344 ( 0.636 0.209 -2.035) 2.143 2.423 ( -1.480 1.977 -2.303) 3.377 2.451 ( -2.257 3.266 1.303) 4.178 2.502 ( 0.476 -0.575 3.429) 3.510 2.586 ( -2.513 -0.400 -2.394) 3.494 2.677 ( -1.956 -3.418 -2.776) 4.818 3.092 ( -2.717 5.409 6.079) 8.579 3.200 ( -2.734 2.622 2.216) 4.389 3.304 ( 3.390 6.360 2.992) 7.803 3.402 ( 1.122 -0.998 4.226) 4.485 3.419 ( 0.873 2.235 2.366) 3.370 3.483 ( -2.089 4.996 -2.746) 6.071 3.612 ( 0.365 -1.536 1.801) 2.395 3.623 ( 0.940 5.294 -2.843) 6.082 3.739 ( -3.888 0.650 -2.870) 4.876 3.812 ( -4.625 -4.119 3.293) 7.014 3.857 ( 8.331 -3.704 -5.605) 10.702 3.994 ( 4.486 3.456 -0.077) 5.664 4.101 ( 1.000 0.684 -3.584) 3.783 4.128 ( 2.557 -5.736 -2.757) 6.858 4.368 ( 3.305 -7.705 0.840) 8.426 4.435 ( -0.839 -6.300 -3.161) 7.098 4.471 ( 2.063 5.452 0.830) 5.888 4.535 ( -1.494 1.366 -3.063) 3.671 4.770 ( -4.070 3.457 4.808) 7.185 4.774 ( -4.370 3.235 4.121) 6.822 5.537 ( -0.064 13.788 -0.314) 13.792 5.566 ( 0.590 10.090 -0.539) 10.122 5.632 ( -2.105 9.994 1.874) 10.384 5.695 ( -2.415 8.397 -1.262) 8.828 5.958 ( 2.364 12.015 1.049) 12.290 6.024 ( 1.696 10.156 -0.372) 10.304 6.034 ( 1.128 10.342 -1.367) 10.493 6.077 ( 0.589 10.420 -1.245) 10.510 6.452 ( 1.872 2.629 -1.682) 3.639 6.466 ( 1.891 3.028 -1.961) 4.073 6.585 ( 0.307 0.170 1.766) 1.801 6.622 ( -1.335 -1.213 0.089) 1.806 7.065 ( 0.567 3.319 0.831) 3.468 7.147 ( -1.189 -1.491 1.041) 2.172 7.203 ( 2.591 -4.683 0.266) 5.359 7.314 ( -0.254 -6.194 -0.227) 6.203 8.566 ( 3.936 5.708 2.609) 7.408 8.629 ( 5.732 2.306 0.021) 6.178 8.765 ( 8.735 -2.656 0.792) 9.164 8.846 ( 3.689 -2.739 -2.777) 5.369 8.965 ( -2.344 2.831 0.213) 3.682 9.117 ( -3.009 1.082 -7.580) 8.227 9.362 ( -0.758 4.039 1.260) 4.298 9.416 ( -0.149 4.938 2.718) 5.638 9.474 ( 0.206 1.964 4.219) 4.658 9.604 ( 5.729 0.694 -1.398) 5.938 9.897 ( -6.078 -14.048 1.764) 15.408 9.974 ( -5.501 -3.314 0.998) 6.499 10.221 ( -4.733 -2.638 1.715) 5.684 10.399 ( 0.006 4.970 -5.212) 7.202 10.686 ( -0.224 -0.757 1.143) 1.389 10.778 ( -3.203 -3.651 3.482) 5.976 10.894 ( -1.407 3.693 0.324) 3.966 11.003 ( -4.203 -11.395 -0.260) 12.148 11.166 ( 4.021 -9.183 -1.457) 10.130 11.309 ( 1.944 -0.970 7.925) 8.218 11.397 ( -5.558 -2.473 -5.472) 8.182 11.529 ( -2.898 -5.317 5.368) 8.092 11.657 ( -1.047 -0.851 1.059) 1.716 11.757 ( -1.812 -3.243 2.077) 4.257 11.951 ( 6.752 3.494 -4.773) 8.976 12.043 ( 6.578 -5.280 -4.379) 9.504 12.255 ( 4.813 2.414 2.928) 6.130 12.401 ( -3.290 3.182 0.059) 4.578 12.467 ( -4.529 -3.104 -1.056) 5.591 12.525 ( -1.883 -4.506 -0.172) 4.886 12.583 ( -2.157 1.578 -0.052) 2.673 12.644 ( -1.412 -4.342 -3.444) 5.719 15.046 ( 1.528 1.455 -2.076) 2.960 15.164 ( -3.437 -2.086 -3.868) 5.579 15.271 ( -2.723 -2.703 -1.368) 4.073 15.296 ( -3.085 -5.607 -0.135) 6.401 15.504 ( 5.016 0.898 0.088) 5.096 15.619 ( 5.842 -4.258 -3.256) 7.929 15.754 ( -0.917 0.657 6.022) 6.127 15.802 ( 0.474 -1.566 3.523) 3.884 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 0.752 3.257 -1.285) 3.582 2.339 ( -0.572 3.035 -1.969) 3.662 2.360 ( 2.172 3.363 -3.049) 5.032 2.402 ( -1.882 2.725 -2.951) 4.436 2.435 ( 2.409 0.084 2.125) 3.213 2.495 ( -2.494 -0.492 1.824) 3.129 2.554 ( 0.783 -2.297 -0.961) 2.610 2.610 ( -4.160 -4.086 -1.672) 6.066 3.078 ( 1.013 5.306 4.754) 7.196 3.125 ( -3.703 5.248 2.592) 6.926 3.369 ( 0.226 -4.953 7.465) 8.962 3.412 ( 5.041 5.607 0.358) 7.549 3.417 ( -2.029 -3.203 4.480) 5.869 3.487 ( -0.005 4.117 -1.763) 4.478 3.615 ( -1.523 12.469 -2.272) 12.765 3.633 ( -2.815 7.140 -0.267) 7.680 3.689 ( 4.310 -0.729 1.444) 4.603 3.755 ( -2.573 -2.793 0.249) 3.806 4.007 ( 5.490 -1.017 -4.034) 6.889 4.055 ( 0.293 5.158 -3.047) 5.998 4.133 ( 1.507 -3.553 -2.336) 4.511 4.143 ( 0.808 -9.111 -6.929) 11.475 4.370 ( 0.186 -3.834 -4.005) 5.547 4.436 ( -3.856 -6.524 -4.576) 8.853 4.530 ( 4.207 5.144 2.651) 7.154 4.545 ( 3.481 4.053 2.372) 5.845 4.678 ( -4.416 0.269 5.200) 6.827 4.684 ( -4.226 -0.544 4.710) 6.351 5.546 ( 1.102 12.423 0.526) 12.483 5.576 ( -1.122 10.473 0.839) 10.566 5.599 ( 0.625 9.479 -0.484) 9.512 5.641 ( -2.837 8.328 -0.903) 8.844 6.006 ( 2.281 12.426 0.601) 12.648 6.035 ( -0.541 12.182 0.044) 12.194 6.067 ( 1.569 9.778 -1.304) 9.989 6.083 ( -0.106 10.296 -1.130) 10.358 6.494 ( 2.024 3.867 -1.507) 4.617 6.504 ( 1.324 4.067 -1.984) 4.715 6.584 ( -0.360 0.779 1.112) 1.405 6.592 ( -1.378 0.891 0.722) 1.793 7.083 ( 1.333 1.441 1.777) 2.648 7.115 ( -1.829 -0.330 2.328) 2.979 7.260 ( 2.819 -6.685 -1.370) 7.383 7.300 ( -1.305 -7.135 -0.924) 7.312 8.663 ( 6.006 8.193 1.582) 10.281 8.764 ( 3.220 5.516 0.988) 6.463 8.804 ( -0.527 7.922 -3.637) 8.733 8.934 ( -2.264 3.600 -5.587) 7.022 9.055 ( 9.961 -2.299 3.092) 10.680 9.112 ( 11.005 -10.757 1.092) 15.428 9.278 ( -8.445 2.752 4.373) 9.900 9.355 ( -10.584 -7.189 6.892) 14.533 9.488 ( 4.815 -0.683 -3.186) 5.814 9.633 ( -6.754 -4.318 -3.282) 8.662 9.830 ( -2.076 -11.983 -0.594) 12.176 9.833 ( -0.545 -11.084 -0.480) 11.107 10.265 ( 6.873 7.548 2.656) 10.548 10.390 ( -3.086 4.093 -1.816) 5.438 10.607 ( -0.687 15.085 -1.883) 15.217 10.728 ( -8.675 8.724 -6.764) 14.040 10.856 ( 1.760 -8.443 7.924) 11.712 10.913 ( -3.421 -8.228 5.950) 10.715 11.269 ( 4.623 -11.304 -7.485) 14.324 11.321 ( -1.750 -6.826 -6.401) 9.520 11.362 ( 3.346 -0.008 3.946) 5.174 11.453 ( -4.978 -6.381 2.207) 8.388 11.661 ( 1.685 -4.050 5.449) 6.995 11.713 ( -2.993 -7.659 6.072) 10.222 12.095 ( 7.589 3.598 -2.071) 8.650 12.149 ( 4.311 0.822 -2.949) 5.288 12.293 ( -5.205 2.087 2.025) 5.963 12.335 ( -7.487 1.711 0.524) 7.698 12.389 ( 6.928 2.700 1.489) 7.584 12.502 ( -3.842 0.384 0.243) 3.869 12.556 ( 1.401 -6.153 -3.371) 7.155 12.603 ( -2.599 -5.677 -3.812) 7.316 15.086 ( 2.399 0.164 -3.300) 4.083 15.122 ( -1.313 -0.712 -3.599) 3.897 15.219 ( -1.898 -4.420 -1.924) 5.181 15.227 ( -2.817 -5.341 -2.074) 6.385 15.616 ( 5.336 1.674 3.279) 6.483 15.684 ( -0.803 0.653 2.654) 2.849 15.753 ( 2.125 -2.936 1.714) 4.009 15.796 ( -1.372 -2.881 1.643) 3.589 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 0.000 -0.971 -1.865) 2.103 2.324 ( 0.000 0.971 -1.865) 2.103 2.393 ( 0.000 -3.381 0.143) 3.384 2.393 ( 0.000 3.381 0.143) 3.384 2.536 ( 0.000 -0.864 -0.474) 0.985 2.536 ( 0.000 0.864 -0.474) 0.985 2.628 ( 0.000 -2.682 -0.274) 2.696 2.628 ( 0.000 2.682 -0.274) 2.696 3.215 ( 0.000 -1.442 1.758) 2.274 3.215 ( 0.000 1.442 1.758) 2.274 3.336 ( 0.000 -0.607 5.314) 5.349 3.336 ( 0.000 0.607 5.314) 5.349 3.568 ( 0.000 -3.725 2.548) 4.514 3.568 ( 0.000 3.726 2.548) 4.514 3.616 ( 0.000 -1.948 -5.647) 5.973 3.616 ( 0.000 1.948 -5.647) 5.973 3.696 ( 0.000 -3.718 -4.799) 6.070 3.696 ( 0.000 3.718 -4.799) 6.070 3.884 ( 0.000 -0.397 4.406) 4.424 3.884 ( 0.000 0.397 4.406) 4.424 4.111 ( 0.000 -7.283 -1.081) 7.363 4.111 ( 0.000 7.283 -1.081) 7.363 4.268 ( 0.000 -7.231 -3.103) 7.869 4.268 ( 0.000 7.231 -3.103) 7.869 4.554 ( 0.000 -1.753 -0.837) 1.942 4.554 ( 0.000 1.753 -0.837) 1.942 4.867 ( 0.000 -0.128 3.578) 3.580 4.867 ( 0.000 0.128 3.578) 3.580 5.676 ( 0.000 -0.367 0.084) 0.376 5.676 ( 0.000 0.367 0.084) 0.376 5.788 ( 0.000 -2.231 -0.342) 2.257 5.788 ( 0.000 2.231 -0.342) 2.257 6.074 ( 0.000 -1.859 0.647) 1.968 6.074 ( 0.000 1.859 0.647) 1.968 6.159 ( 0.000 -1.633 -1.460) 2.190 6.159 ( 0.000 1.633 -1.460) 2.191 6.467 ( 0.000 -0.967 -1.763) 2.011 6.467 ( 0.000 0.967 -1.763) 2.011 6.581 ( 0.000 -1.668 -0.430) 1.723 6.581 ( 0.000 1.668 -0.430) 1.723 7.135 ( 0.000 -0.031 1.959) 1.959 7.135 ( 0.000 0.031 1.959) 1.959 7.195 ( 0.000 -5.588 -0.320) 5.597 7.195 ( 0.000 5.588 -0.320) 5.597 8.571 ( 0.000 -1.036 -1.791) 2.069 8.571 ( 0.000 1.036 -1.792) 2.069 8.689 ( 0.000 -3.436 3.115) 4.638 8.689 ( 0.000 3.436 3.115) 4.638 9.127 ( 0.000 -2.796 -4.712) 5.479 9.127 ( 0.000 2.796 -4.712) 5.479 9.454 ( 0.000 -4.628 -2.326) 5.179 9.454 ( 0.000 4.628 -2.326) 5.179 9.604 ( 0.000 -6.228 2.654) 6.770 9.604 ( 0.000 6.228 2.654) 6.771 9.860 ( 0.000 -11.476 4.232) 12.232 9.860 ( 0.000 11.477 4.232) 12.232 10.298 ( 0.000 -7.720 3.977) 8.684 10.298 ( 0.000 7.720 3.977) 8.684 10.738 ( 0.000 -11.581 -1.185) 11.641 10.738 ( 0.000 11.581 -1.185) 11.641 10.866 ( 0.000 -2.502 2.333) 3.421 10.866 ( 0.000 2.502 2.333) 3.421 11.182 ( 0.000 -8.504 -6.205) 10.527 11.182 ( 0.000 8.504 -6.205) 10.527 11.479 ( 0.000 -5.346 8.180) 9.772 11.479 ( 0.000 5.346 8.180) 9.772 11.768 ( 0.000 -4.129 -0.482) 4.157 11.768 ( 0.000 4.129 -0.482) 4.157 11.871 ( 0.000 -0.723 -5.261) 5.310 11.871 ( 0.000 0.723 -5.261) 5.310 12.282 ( 0.000 -6.048 -1.346) 6.196 12.282 ( 0.000 6.048 -1.346) 6.196 12.545 ( 0.000 -4.224 0.293) 4.235 12.545 ( 0.000 4.225 0.293) 4.235 12.619 ( 0.000 -1.847 0.621) 1.949 12.619 ( 0.000 1.847 0.621) 1.949 15.114 ( 0.000 -5.367 -2.979) 6.138 15.114 ( 0.000 5.367 -2.979) 6.138 15.283 ( 0.000 -0.059 0.191) 0.200 15.283 ( 0.000 0.059 0.191) 0.200 15.478 ( 0.000 -0.208 -3.769) 3.774 15.478 ( 0.000 0.208 -3.769) 3.774 15.777 ( 0.000 -0.747 5.650) 5.699 15.777 ( 0.000 0.747 5.650) 5.699 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 1.188 -0.793 -1.678) 2.204 2.336 ( 1.188 0.793 -1.678) 2.204 2.396 ( 0.382 -3.009 -0.083) 3.034 2.396 ( 0.382 3.009 -0.083) 3.034 2.513 ( -1.894 -1.617 -0.898) 2.647 2.513 ( -1.894 1.617 -0.898) 2.647 2.598 ( -2.984 -3.300 -0.921) 4.543 2.598 ( -2.984 3.300 -0.921) 4.543 3.194 ( -1.397 -3.604 3.679) 5.336 3.194 ( -1.397 3.604 3.679) 5.336 3.373 ( 1.560 -1.209 6.153) 6.461 3.373 ( 1.560 1.209 6.153) 6.461 3.477 ( -3.690 -4.370 1.012) 5.808 3.477 ( -3.690 4.370 1.012) 5.808 3.660 ( 0.714 -4.857 -2.983) 5.745 3.660 ( 0.714 4.857 -2.983) 5.745 3.757 ( 5.645 -4.919 -4.225) 8.597 3.757 ( 5.645 4.919 -4.225) 8.597 3.886 ( 0.757 -9.977 -1.518) 10.120 3.886 ( 0.757 9.977 -1.518) 10.120 4.166 ( 3.930 -8.681 0.254) 9.533 4.166 ( 3.930 8.681 0.254) 9.533 4.255 ( -1.032 -8.785 -2.540) 9.203 4.255 ( -1.032 8.785 -2.540) 9.203 4.552 ( 0.335 -1.270 -0.570) 1.432 4.552 ( 0.335 1.270 -0.570) 1.432 4.816 ( -4.839 -0.072 3.940) 6.241 4.816 ( -4.839 0.072 3.940) 6.241 5.674 ( -0.022 -0.081 -0.101) 0.132 5.674 ( -0.022 0.081 -0.101) 0.132 5.760 ( -2.487 -2.070 0.005) 3.236 5.760 ( -2.487 2.070 0.005) 3.236 6.104 ( 2.629 -1.810 0.317) 3.208 6.104 ( 2.629 1.810 0.317) 3.208 6.170 ( 0.852 -1.474 -1.154) 2.057 6.170 ( 0.852 1.474 -1.154) 2.057 6.490 ( 2.294 -0.844 -1.663) 2.956 6.490 ( 2.294 0.844 -1.663) 2.957 6.594 ( 0.877 -1.276 -0.274) 1.572 6.594 ( 0.877 1.276 -0.274) 1.572 7.139 ( 0.407 -1.377 1.577) 2.133 7.139 ( 0.407 1.377 1.577) 2.133 7.182 ( -1.056 -5.870 -0.304) 5.972 7.182 ( -1.056 5.870 -0.304) 5.972 8.669 ( 9.821 -0.697 -0.785) 9.877 8.669 ( 9.821 0.697 -0.785) 9.877 8.726 ( 3.849 -3.758 1.890) 5.702 8.726 ( 3.849 3.758 1.890) 5.702 9.090 ( -3.834 -5.104 -4.686) 7.919 9.090 ( -3.834 5.104 -4.686) 7.919 9.456 ( -1.044 -4.253 0.013) 4.380 9.456 ( -1.044 4.253 0.013) 4.380 9.591 ( -1.417 -8.606 2.942) 9.205 9.591 ( -1.417 8.606 2.942) 9.205 9.744 ( -9.287 -8.749 2.154) 12.940 9.744 ( -9.287 8.749 2.154) 12.940 10.369 ( 6.223 -10.775 3.006) 12.801 10.369 ( 6.223 10.775 3.006) 12.801 10.710 ( -3.040 -11.333 0.532) 11.746 10.710 ( -3.040 11.333 0.532) 11.746 10.885 ( 2.031 -8.635 -0.001) 8.871 10.885 ( 2.031 8.635 -0.001) 8.871 11.139 ( -4.234 -9.458 -5.800) 11.875 11.139 ( -4.234 9.458 -5.800) 11.875 11.487 ( 0.760 -4.476 7.636) 8.884 11.487 ( 0.760 4.476 7.636) 8.884 11.657 ( -6.389 -4.065 -0.372) 7.582 11.658 ( -6.389 4.065 -0.372) 7.582 11.997 ( 8.216 -1.189 -3.934) 9.187 11.997 ( 8.216 1.189 -3.934) 9.187 12.325 ( 3.881 -4.934 -1.312) 6.413 12.325 ( 3.881 4.934 -1.312) 6.413 12.483 ( -5.651 -3.484 0.838) 6.691 12.483 ( -5.651 3.484 0.838) 6.691 12.602 ( -2.067 -1.803 0.164) 2.748 12.602 ( -2.067 1.803 0.164) 2.748 15.101 ( -0.683 -3.494 -3.605) 5.067 15.101 ( -0.683 3.495 -3.605) 5.067 15.242 ( -3.605 -0.416 -0.871) 3.732 15.242 ( -3.605 0.416 -0.871) 3.732 15.547 ( 5.925 -2.856 -1.687) 6.790 15.547 ( 5.925 2.856 -1.687) 6.790 15.775 ( -0.462 -1.223 5.115) 5.280 15.775 ( -0.462 1.223 5.115) 5.280 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 2.057 -0.956 -1.913) 2.967 2.368 ( 2.057 0.956 -1.913) 2.967 2.400 ( -0.617 -1.726 -1.898) 2.638 2.400 ( -0.617 1.726 -1.898) 2.638 2.488 ( 0.144 -2.915 -0.281) 2.932 2.488 ( 0.144 2.915 -0.281) 2.932 2.529 ( -3.535 -3.091 -0.636) 4.739 2.529 ( -3.535 3.091 -0.636) 4.739 3.199 ( 2.436 -4.341 5.933) 7.745 3.199 ( 2.436 4.341 5.933) 7.745 3.287 ( -6.263 -4.769 6.041) 9.923 3.287 ( -6.263 4.769 6.041) 9.923 3.543 ( 5.941 -5.471 0.557) 8.096 3.543 ( 5.941 5.471 0.557) 8.096 3.633 ( -3.100 -5.907 -1.037) 6.751 3.633 ( -3.100 5.907 -1.037) 6.751 3.861 ( 4.205 -10.610 -4.271) 12.186 3.861 ( 4.205 10.610 -4.271) 12.186 3.905 ( -0.001 -12.464 -4.447) 13.233 3.905 ( -0.001 12.464 -4.447) 13.233 4.208 ( 1.301 -7.679 -2.063) 8.057 4.208 ( 1.301 7.679 -2.063) 8.057 4.241 ( -1.182 -8.823 -2.599) 9.273 4.241 ( -1.182 8.823 -2.599) 9.273 4.593 ( 4.247 -0.304 2.030) 4.717 4.593 ( 4.247 0.304 2.030) 4.717 4.702 ( -6.396 -0.169 4.054) 7.575 4.702 ( -6.396 0.169 4.054) 7.575 5.681 ( 0.889 -0.721 -0.094) 1.149 5.681 ( 0.889 0.721 -0.094) 1.149 5.711 ( -2.203 -1.513 0.178) 2.678 5.711 ( -2.203 1.513 0.178) 2.678 6.154 ( 2.156 -1.555 -0.131) 2.662 6.154 ( 2.156 1.556 -0.131) 2.662 6.178 ( -0.299 -1.301 -0.585) 1.457 6.178 ( -0.299 1.301 -0.585) 1.458 6.546 ( 3.127 -0.791 -1.167) 3.431 6.546 ( 3.127 0.791 -1.167) 3.431 6.593 ( -1.371 -0.839 -0.427) 1.663 6.593 ( -1.371 0.839 -0.427) 1.663 7.150 ( 0.627 -3.748 0.714) 3.867 7.150 ( 0.627 3.748 0.714) 3.867 7.163 ( -0.828 -5.642 0.092) 5.703 7.163 ( -0.828 5.642 0.092) 5.703 8.830 ( 6.525 -5.001 -1.006) 8.282 8.830 ( 6.525 5.001 -1.006) 8.282 8.907 ( 8.674 -3.373 -0.769) 9.338 8.907 ( 8.674 3.373 -0.769) 9.338 9.008 ( 1.248 -4.205 -0.940) 4.485 9.008 ( 1.248 4.205 -0.940) 4.486 9.288 ( -16.114 -2.022 4.721) 16.913 9.288 ( -16.114 2.022 4.721) 16.913 9.587 ( 1.884 -8.995 -0.051) 9.190 9.587 ( 1.884 8.995 -0.051) 9.191 9.632 ( -2.716 -6.202 -0.499) 6.789 9.632 ( -2.716 6.202 -0.499) 6.789 10.502 ( 6.984 -12.136 2.226) 14.178 10.502 ( 6.984 12.136 2.226) 14.178 10.625 ( -5.562 -11.568 1.750) 12.954 10.625 ( -5.562 11.568 1.750) 12.954 10.944 ( 4.083 -15.170 -2.577) 15.920 10.944 ( 4.083 15.170 -2.577) 15.920 11.039 ( -5.497 -14.125 -4.326) 15.763 11.039 ( -5.497 14.125 -4.326) 15.763 11.509 ( 1.685 -3.069 5.026) 6.125 11.509 ( 1.685 3.069 5.026) 6.125 11.559 ( -3.747 -3.110 1.785) 5.186 11.559 ( -3.747 3.111 1.785) 5.187 12.157 ( 8.427 -1.542 -2.069) 8.814 12.157 ( 8.427 1.542 -2.069) 8.814 12.318 ( -7.495 -1.347 -0.812) 7.658 12.318 ( -7.495 1.347 -0.812) 7.658 12.445 ( 4.614 -2.194 0.181) 5.112 12.445 ( 4.614 2.194 0.181) 5.112 12.539 ( -4.341 -1.235 -0.133) 4.515 12.539 ( -4.341 1.235 -0.133) 4.515 15.109 ( 1.765 -1.403 -3.646) 4.287 15.109 ( 1.765 1.403 -3.646) 4.287 15.166 ( -3.824 -0.384 -2.451) 4.559 15.166 ( -3.824 0.384 -2.451) 4.559 15.665 ( 5.570 -2.510 1.242) 6.235 15.665 ( 5.570 2.510 1.242) 6.235 15.747 ( -2.788 -1.853 3.595) 4.912 15.747 ( -2.788 1.853 3.595) 4.912 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 0.000 -21.232) 21.232 1.064 ( 0.000 0.000 21.232) 21.232 1.120 ( 0.000 0.000 -25.154) 25.154 1.120 ( 0.000 0.000 25.154) 25.154 1.925 ( 0.000 0.000 -3.369) 3.369 1.925 ( 0.000 0.000 3.369) 3.369 1.930 ( 0.000 0.000 -32.358) 32.358 1.930 ( 0.000 0.000 32.358) 32.358 2.196 ( 0.000 0.000 -1.353) 1.353 2.196 ( 0.000 0.000 1.353) 1.353 2.289 ( 0.000 0.000 -3.406) 3.406 2.289 ( 0.000 0.000 3.406) 3.406 2.400 ( 0.000 0.000 -2.072) 2.072 2.400 ( 0.000 0.000 2.072) 2.072 2.508 ( 0.000 0.000 -7.702) 7.702 2.508 ( 0.000 0.000 7.702) 7.702 2.520 ( 0.000 0.000 -4.391) 4.391 2.520 ( 0.000 0.000 4.391) 4.391 2.668 ( 0.000 0.000 -9.873) 9.873 2.668 ( 0.000 0.000 9.873) 9.873 2.920 ( 0.000 0.000 -3.581) 3.581 2.920 ( 0.000 0.000 3.581) 3.581 3.541 ( 0.000 0.000 -18.782) 18.782 3.541 ( 0.000 0.000 18.782) 18.782 3.887 ( 0.000 0.000 -10.295) 10.295 3.887 ( 0.000 0.000 10.295) 10.295 4.287 ( 0.000 0.000 -10.507) 10.507 4.287 ( 0.000 0.000 10.507) 10.507 4.740 ( 0.000 0.000 -1.484) 1.484 4.740 ( 0.000 0.000 1.484) 1.484 4.938 ( 0.000 0.000 -5.768) 5.768 4.938 ( 0.000 0.000 5.768) 5.768 5.231 ( 0.000 0.000 -2.844) 2.844 5.231 ( 0.000 0.000 2.844) 2.844 5.499 ( 0.000 0.000 -0.859) 0.859 5.499 ( 0.000 0.000 0.859) 0.859 6.125 ( 0.000 0.000 -0.972) 0.972 6.125 ( 0.000 0.000 0.972) 0.972 6.900 ( 0.000 0.000 -1.409) 1.409 6.900 ( 0.000 0.000 1.409) 1.409 7.541 ( 0.000 0.000 -13.298) 13.298 7.541 ( 0.000 0.000 13.298) 13.298 7.639 ( 0.000 0.000 -10.947) 10.947 7.639 ( 0.000 0.000 10.947) 10.947 8.058 ( 0.000 0.000 -10.885) 10.885 8.058 ( 0.000 0.000 10.885) 10.885 8.268 ( 0.000 0.000 -0.934) 0.934 8.268 ( 0.000 0.000 0.934) 0.934 8.652 ( 0.000 0.000 -4.014) 4.014 8.652 ( 0.000 0.000 4.014) 4.014 9.253 ( 0.000 0.000 -8.340) 8.340 9.253 ( 0.000 0.000 8.340) 8.340 9.367 ( 0.000 0.000 -2.007) 2.007 9.367 ( 0.000 0.000 2.007) 2.007 9.760 ( 0.000 0.000 -11.141) 11.141 9.760 ( 0.000 0.000 11.141) 11.141 10.182 ( 0.000 0.000 -1.410) 1.410 10.182 ( 0.000 0.000 1.410) 1.410 10.220 ( 0.000 0.000 -12.114) 12.114 10.220 ( 0.000 0.000 12.114) 12.114 10.841 ( 0.000 0.000 -6.437) 6.437 10.841 ( 0.000 0.000 6.437) 6.437 11.031 ( 0.000 0.000 -1.127) 1.127 11.031 ( 0.000 0.000 1.127) 1.127 11.502 ( 0.000 0.000 -1.027) 1.027 11.502 ( 0.000 0.000 1.027) 1.027 11.538 ( 0.000 0.000 -0.411) 0.411 11.538 ( 0.000 0.000 0.411) 0.411 12.047 ( 0.000 0.000 -7.031) 7.031 12.047 ( 0.000 0.000 7.031) 7.031 12.489 ( 0.000 0.000 -3.204) 3.204 12.489 ( 0.000 0.000 3.204) 3.204 13.409 ( 0.000 0.000 -1.949) 1.949 13.409 ( 0.000 0.000 1.949) 1.949 13.881 ( 0.000 0.000 -2.335) 2.335 13.881 ( 0.000 0.000 2.335) 2.335 15.585 ( 0.000 0.000 -2.038) 2.038 15.585 ( 0.000 0.000 2.038) 2.038 15.868 ( 0.000 0.000 -1.491) 1.491 15.868 ( 0.000 0.000 1.491) 1.491 16.781 ( 0.000 0.000 -4.429) 4.429 16.781 ( 0.000 0.000 4.429) 4.429 17.052 ( 0.000 0.000 -4.014) 4.014 17.052 ( 0.000 0.000 4.014) 4.014 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 9.385 0.000 -18.447) 20.697 1.161 ( 9.385 0.000 18.447) 20.697 1.231 ( 10.494 0.000 -21.689) 24.094 1.231 ( 10.494 0.000 21.689) 24.094 1.855 ( -7.354 0.000 -3.922) 8.334 1.855 ( -7.354 0.000 3.922) 8.334 2.047 ( 2.806 0.000 -13.266) 13.560 2.047 ( 2.806 0.000 13.266) 13.560 2.164 ( -2.100 0.000 -2.713) 3.431 2.164 ( -2.100 0.000 2.713) 3.431 2.193 ( -2.990 0.000 -27.287) 27.450 2.193 ( -2.990 0.000 27.287) 27.450 2.287 ( -0.164 0.000 -2.403) 2.408 2.287 ( -0.164 0.000 2.403) 2.408 2.573 ( 4.319 0.000 -3.536) 5.582 2.573 ( 4.319 0.000 3.536) 5.582 2.732 ( 13.052 0.000 -5.171) 14.039 2.732 ( 13.052 0.000 5.171) 14.039 2.785 ( 11.661 0.000 -11.566) 16.424 2.785 ( 11.661 0.000 11.566) 16.424 2.908 ( -1.203 0.000 -3.224) 3.441 2.908 ( -1.203 0.000 3.224) 3.441 3.466 ( -6.798 0.000 -15.124) 16.582 3.466 ( -6.798 0.000 15.124) 16.582 3.826 ( -7.259 0.000 -11.543) 13.635 3.826 ( -7.259 0.000 11.543) 13.635 3.994 ( -23.137 0.000 -13.347) 26.711 3.994 ( -23.137 0.000 13.347) 26.711 4.800 ( -0.254 0.000 -5.336) 5.342 4.800 ( -0.254 0.000 5.336) 5.342 4.979 ( 5.753 0.000 -5.235) 7.778 4.979 ( 5.753 0.000 5.235) 7.778 5.220 ( -1.506 0.000 -3.617) 3.918 5.220 ( -1.506 0.000 3.617) 3.918 5.582 ( 7.319 0.000 -1.418) 7.455 5.582 ( 7.319 0.000 1.418) 7.455 6.116 ( 0.506 0.000 -5.317) 5.341 6.116 ( 0.506 0.000 5.317) 5.341 6.770 ( -10.109 0.000 -7.030) 12.313 6.770 ( -10.109 0.000 7.030) 12.313 7.662 ( 2.447 0.000 -10.767) 11.041 7.662 ( 2.447 0.000 10.767) 11.041 7.696 ( 11.367 0.000 -8.225) 14.031 7.696 ( 11.367 0.000 8.225) 14.031 7.985 ( -6.468 0.000 -10.194) 12.073 7.985 ( -6.468 0.000 10.194) 12.073 8.224 ( -3.811 0.000 -2.368) 4.487 8.224 ( -3.811 0.000 2.368) 4.487 8.730 ( 6.737 0.000 -2.945) 7.353 8.730 ( 6.737 0.000 2.945) 7.353 9.342 ( -2.466 0.000 -1.874) 3.098 9.342 ( -2.466 0.000 1.874) 3.098 9.345 ( 7.302 0.000 -7.094) 10.181 9.345 ( 7.302 0.000 7.094) 10.181 9.666 ( -6.809 0.000 -6.911) 9.702 9.666 ( -6.809 0.000 6.911) 9.702 10.179 ( -0.260 0.000 -1.132) 1.162 10.179 ( -0.260 0.000 1.132) 1.162 10.392 ( 15.907 0.000 -10.452) 19.034 10.392 ( 15.907 0.000 10.452) 19.034 10.977 ( 11.367 0.000 -4.950) 12.398 10.977 ( 11.367 0.000 4.950) 12.398 11.028 ( -0.249 0.000 -0.904) 0.938 11.028 ( -0.249 0.000 0.904) 0.938 11.504 ( 0.175 0.000 -0.820) 0.839 11.504 ( 0.175 0.000 0.820) 0.839 11.539 ( 0.048 0.000 -0.312) 0.315 11.539 ( 0.048 0.000 0.312) 0.315 11.916 ( -14.615 0.000 -5.690) 15.684 11.916 ( -14.615 0.000 5.690) 15.684 12.362 ( -9.046 0.000 -4.856) 10.267 12.362 ( -9.046 0.000 4.856) 10.267 13.397 ( -1.439 0.000 -3.415) 3.706 13.397 ( -1.439 0.000 3.415) 3.706 13.900 ( 1.636 0.000 -1.914) 2.518 13.900 ( 1.636 0.000 1.914) 2.518 15.586 ( 1.050 0.000 -2.384) 2.605 15.586 ( 1.050 0.000 2.384) 2.605 15.892 ( 1.209 0.000 -2.293) 2.592 15.892 ( 1.209 0.000 2.293) 2.592 16.754 ( -2.430 0.000 -3.430) 4.204 16.754 ( -2.430 0.000 3.430) 4.204 17.027 ( -1.870 0.000 -2.969) 3.508 17.027 ( -1.870 0.000 2.969) 3.508 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 13.230 0.000 -12.779) 18.394 1.389 ( 13.230 0.000 12.779) 18.394 1.482 ( 14.690 0.000 -16.035) 21.747 1.482 ( 14.690 0.000 16.035) 21.747 1.656 ( -12.368 0.000 -7.607) 14.520 1.656 ( -12.368 0.000 7.607) 14.520 1.799 ( -16.273 0.000 -10.765) 19.512 1.799 ( -16.273 0.000 10.765) 19.512 2.140 ( -0.510 0.000 -1.221) 1.323 2.140 ( -0.510 0.000 1.221) 1.323 2.284 ( -0.100 0.000 -0.871) 0.877 2.284 ( -0.100 0.000 0.871) 0.877 2.507 ( 19.680 0.000 -22.790) 30.111 2.507 ( 19.680 0.000 22.790) 30.111 2.646 ( 2.421 0.000 -1.602) 2.903 2.646 ( 2.421 0.000 1.602) 2.903 2.882 ( -1.046 0.000 -1.593) 1.906 2.882 ( -1.046 0.000 1.593) 1.906 2.913 ( 3.650 0.000 -10.036) 10.679 2.913 ( 3.650 0.000 10.036) 10.679 3.054 ( 11.729 0.000 -9.908) 15.353 3.054 ( 11.729 0.000 9.908) 15.353 3.319 ( -6.745 0.000 -7.962) 10.435 3.319 ( -6.745 0.000 7.962) 10.435 3.556 ( -14.021 0.000 -10.649) 17.607 3.556 ( -14.021 0.000 10.649) 17.607 3.641 ( -12.129 0.000 -8.727) 14.942 3.641 ( -12.129 0.000 8.727) 14.942 4.782 ( -0.483 0.000 -4.056) 4.085 4.782 ( -0.483 0.000 4.056) 4.085 5.035 ( -0.218 0.000 -0.308) 0.377 5.035 ( -0.218 0.000 0.308) 0.377 5.216 ( 1.071 0.000 -1.317) 1.698 5.216 ( 1.071 0.000 1.317) 1.698 5.705 ( 3.884 0.000 -1.081) 4.032 5.705 ( 3.884 0.000 1.081) 4.032 6.163 ( 3.092 0.000 -5.583) 6.382 6.163 ( 3.092 0.000 5.583) 6.382 6.596 ( -6.242 0.000 -6.408) 8.946 6.596 ( -6.242 0.000 6.408) 8.946 7.732 ( 4.731 0.000 -10.098) 11.152 7.732 ( 4.731 0.000 10.098) 11.152 7.851 ( -6.670 0.000 -9.722) 11.790 7.851 ( -6.670 0.000 9.722) 11.790 7.858 ( 4.270 0.000 -2.773) 5.091 7.858 ( 4.270 0.000 2.773) 5.091 8.163 ( -1.657 0.000 -2.972) 3.403 8.163 ( -1.657 0.000 2.972) 3.403 8.851 ( 4.308 0.000 -1.228) 4.480 8.851 ( 4.308 0.000 1.228) 4.480 9.289 ( -2.219 0.000 -0.994) 2.431 9.289 ( -2.219 0.000 0.994) 2.431 9.464 ( 4.467 0.000 -1.809) 4.819 9.464 ( 4.467 0.000 1.809) 4.819 9.558 ( -4.127 0.000 -2.923) 5.057 9.558 ( -4.127 0.000 2.923) 5.057 10.174 ( -0.157 0.000 -0.427) 0.455 10.174 ( -0.157 0.000 0.427) 0.455 10.768 ( 19.957 0.000 -7.680) 21.384 10.768 ( 19.957 0.000 7.680) 21.384 11.023 ( -0.152 0.000 -0.341) 0.373 11.023 ( -0.152 0.000 0.341) 0.373 11.143 ( 2.240 0.000 -5.950) 6.358 11.143 ( 2.240 0.000 5.950) 6.358 11.507 ( 0.108 0.000 -0.308) 0.326 11.507 ( 0.108 0.000 0.308) 0.326 11.540 ( 0.028 0.000 -0.106) 0.110 11.540 ( 0.028 0.000 0.106) 0.110 11.545 ( -17.678 0.000 -2.685) 17.880 11.545 ( -17.678 0.000 2.685) 17.880 12.248 ( -2.635 0.000 -1.954) 3.280 12.248 ( -2.635 0.000 1.954) 3.280 13.365 ( -1.229 0.000 -1.518) 1.953 13.365 ( -1.229 0.000 1.518) 1.953 13.927 ( 0.879 0.000 -0.727) 1.140 13.927 ( 0.879 0.000 0.727) 1.140 15.631 ( 2.508 0.000 -1.644) 2.999 15.631 ( 2.508 0.000 1.644) 2.999 15.886 ( -1.315 0.000 -1.714) 2.160 15.886 ( -1.315 0.000 1.714) 2.160 16.713 ( -1.240 0.000 -1.198) 1.724 16.713 ( -1.240 0.000 1.198) 1.724 17.001 ( -0.713 0.000 -1.193) 1.390 17.001 ( -0.713 0.000 1.193) 1.390 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 9.251 -20.603) 22.585 1.222 ( 0.000 9.251 20.603) 22.585 1.260 ( 0.000 15.003 -18.978) 24.192 1.260 ( 0.000 15.003 18.978) 24.192 2.077 ( 0.000 18.024 -10.249) 20.734 2.077 ( 0.000 18.024 10.249) 20.734 2.131 ( 0.000 11.756 -0.303) 11.760 2.131 ( 0.000 11.756 0.303) 11.760 2.320 ( 0.000 11.074 -3.987) 11.770 2.320 ( 0.000 11.074 3.987) 11.770 2.426 ( 0.000 8.522 -5.303) 10.038 2.426 ( 0.000 8.522 5.303) 10.038 2.474 ( 0.000 9.656 -4.630) 10.708 2.474 ( 0.000 9.656 4.630) 10.708 2.560 ( 0.000 8.622 -2.278) 8.918 2.560 ( 0.000 8.622 2.278) 8.918 2.698 ( 0.000 6.341 -5.962) 8.703 2.698 ( 0.000 6.341 5.962) 8.703 2.721 ( 0.000 16.355 -3.183) 16.662 2.721 ( 0.000 16.355 3.183) 16.662 3.118 ( 0.000 17.540 -3.693) 17.925 3.118 ( 0.000 17.540 3.693) 17.925 3.527 ( 0.000 -0.951 -17.727) 17.752 3.527 ( 0.000 -0.951 17.727) 17.752 3.896 ( 0.000 1.068 -10.864) 10.916 3.896 ( 0.000 1.068 10.864) 10.916 4.286 ( 0.000 0.193 -10.846) 10.848 4.286 ( 0.000 0.193 10.846) 10.848 4.727 ( 0.000 -1.192 -1.170) 1.671 4.727 ( 0.000 -1.192 1.170) 1.671 4.909 ( 0.000 -2.334 -4.855) 5.387 4.909 ( 0.000 -2.334 4.855) 5.387 5.199 ( 0.000 -3.065 -2.867) 4.197 5.199 ( 0.000 -3.065 2.867) 4.197 5.482 ( 0.000 -1.445 -0.075) 1.447 5.482 ( 0.000 -1.445 0.075) 1.447 6.120 ( 0.000 -0.128 -0.364) 0.386 6.120 ( 0.000 -0.128 0.364) 0.386 6.786 ( 0.000 -7.986 -0.900) 8.036 6.786 ( 0.000 -7.986 0.900) 8.036 7.476 ( 0.000 -3.074 -8.004) 8.574 7.476 ( 0.000 -3.074 8.004) 8.574 7.746 ( 0.000 4.494 -2.870) 5.332 7.746 ( 0.000 4.494 2.870) 5.332 8.171 ( 0.000 4.992 -4.529) 6.740 8.171 ( 0.000 4.992 4.529) 6.740 8.306 ( 0.000 8.165 -2.861) 8.651 8.306 ( 0.000 8.165 2.861) 8.651 8.816 ( 0.000 14.242 -3.226) 14.603 8.816 ( 0.000 14.242 3.226) 14.603 9.317 ( 0.000 5.793 -7.743) 9.670 9.317 ( 0.000 5.793 7.743) 9.670 9.520 ( 0.000 12.037 -2.185) 12.233 9.520 ( 0.000 12.037 2.185) 12.233 9.829 ( 0.000 0.754 -12.566) 12.589 9.829 ( 0.000 0.754 12.566) 12.589 10.124 ( 0.000 3.397 -4.707) 5.804 10.124 ( 0.000 3.397 4.707) 5.804 10.176 ( 0.000 -5.692 -10.151) 11.638 10.176 ( 0.000 -5.692 10.151) 11.638 10.870 ( 0.000 -5.144 -3.556) 6.254 10.870 ( 0.000 -5.144 3.556) 6.254 11.055 ( 0.000 7.417 -3.884) 8.372 11.055 ( 0.000 7.417 3.884) 8.372 11.428 ( 0.000 -7.304 -0.932) 7.363 11.428 ( 0.000 -7.304 0.932) 7.363 11.522 ( 0.000 2.013 -1.281) 2.386 11.522 ( 0.000 2.013 1.281) 2.386 12.034 ( 0.000 -1.369 -7.270) 7.398 12.034 ( 0.000 -1.369 7.270) 7.398 12.544 ( 0.000 4.132 -2.494) 4.826 12.544 ( 0.000 4.132 2.494) 4.826 13.387 ( 0.000 -2.627 -4.501) 5.211 13.387 ( 0.000 -2.627 4.501) 5.211 13.781 ( 0.000 -9.335 -1.434) 9.445 13.781 ( 0.000 -9.335 1.434) 9.445 15.571 ( 0.000 -2.025 -1.024) 2.269 15.571 ( 0.000 -2.025 1.024) 2.269 15.817 ( 0.000 -4.527 -1.610) 4.805 15.817 ( 0.000 -4.527 1.610) 4.805 16.684 ( 0.000 -9.002 -3.255) 9.573 16.684 ( 0.000 -9.002 3.255) 9.573 16.941 ( 0.000 -10.155 -3.052) 10.604 16.941 ( 0.000 -10.155 3.052) 10.604 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 8.635 9.270 -19.260) 23.053 1.309 ( 8.635 9.270 19.260) 23.053 1.356 ( 9.251 13.108 -18.598) 24.562 1.356 ( 9.251 13.108 18.598) 24.562 2.028 ( -9.162 10.435 -1.813) 14.004 2.028 ( -9.162 10.435 1.813) 14.004 2.106 ( -4.777 9.661 -1.215) 10.846 2.106 ( -4.777 9.661 1.215) 10.846 2.266 ( -1.501 13.558 -11.004) 17.526 2.266 ( -1.501 13.558 11.004) 17.526 2.349 ( 2.275 13.357 -3.767) 14.063 2.349 ( 2.275 13.357 3.767) 14.063 2.521 ( 2.514 18.459 -9.447) 20.888 2.521 ( 2.514 18.459 9.447) 20.888 2.737 ( 12.997 4.039 -4.542) 14.348 2.737 ( 12.997 4.039 4.542) 14.348 2.770 ( 5.234 13.263 -6.346) 15.606 2.770 ( 5.234 13.263 6.346) 15.606 2.812 ( 9.716 6.135 -9.839) 15.127 2.812 ( 9.716 6.135 9.839) 15.127 3.108 ( -0.684 17.267 -3.224) 17.579 3.108 ( -0.684 17.267 3.224) 17.579 3.464 ( -5.849 0.059 -14.934) 16.039 3.464 ( -5.849 0.059 14.934) 16.039 3.827 ( -7.599 0.249 -11.309) 13.627 3.827 ( -7.599 0.249 11.309) 13.627 4.009 ( -22.315 2.095 -13.194) 26.009 4.009 ( -22.315 2.095 13.194) 26.009 4.781 ( 0.649 -1.710 -5.014) 5.337 4.781 ( 0.649 -1.710 5.014) 5.337 4.964 ( 5.534 -1.314 -5.168) 7.685 4.964 ( 5.534 -1.314 5.168) 7.685 5.176 ( -1.840 -3.905 -3.640) 5.647 5.176 ( -1.840 -3.905 3.640) 5.647 5.560 ( 6.669 -2.069 -0.522) 7.003 5.560 ( 6.669 -2.069 0.522) 7.003 6.119 ( 0.838 0.444 -4.949) 5.039 6.119 ( 0.838 0.444 4.949) 5.039 6.684 ( -8.702 -6.447 -7.054) 12.924 6.684 ( -8.702 -6.447 7.054) 12.924 7.559 ( 6.032 -4.657 -6.387) 9.943 7.559 ( 6.032 -4.657 6.387) 9.943 7.786 ( 3.649 2.651 -5.021) 6.749 7.786 ( 3.649 2.651 5.021) 6.749 8.153 ( -2.400 10.927 -5.304) 12.381 8.153 ( -2.400 10.927 5.304) 12.381 8.282 ( -1.714 7.070 -1.298) 7.390 8.282 ( -1.714 7.070 1.298) 7.390 8.872 ( 5.547 13.064 -2.473) 14.407 8.872 ( 5.547 13.064 2.473) 14.407 9.371 ( 4.444 4.161 -4.076) 7.327 9.371 ( 4.444 4.161 4.076) 7.327 9.492 ( -2.391 11.170 -0.928) 11.461 9.492 ( -2.391 11.170 0.928) 11.461 9.717 ( -7.653 3.179 -6.720) 10.669 9.717 ( -7.653 3.179 6.720) 10.669 10.119 ( 2.272 -4.155 -2.746) 5.474 10.119 ( 2.272 -4.155 2.746) 5.474 10.421 ( 17.853 1.910 -6.883) 19.229 10.421 ( 17.853 1.910 6.883) 19.229 10.876 ( 0.497 -7.844 -2.378) 8.211 10.876 ( 0.497 -7.844 2.378) 8.211 11.073 ( 2.124 2.817 -4.108) 5.416 11.073 ( 2.124 2.817 4.108) 5.416 11.412 ( -2.083 -8.007 -1.766) 8.460 11.412 ( -2.083 -8.007 1.766) 8.460 11.524 ( 0.003 2.187 -0.834) 2.340 11.524 ( 0.003 2.187 0.834) 2.340 11.923 ( -12.546 0.256 -6.254) 14.021 11.923 ( -12.546 0.256 6.254) 14.021 12.450 ( -5.995 6.506 -3.711) 9.594 12.450 ( -5.995 6.506 3.711) 9.594 13.371 ( -1.846 -3.172 -4.229) 5.600 13.371 ( -1.846 -3.172 4.229) 5.600 13.807 ( 2.200 -8.799 -1.059) 9.131 13.807 ( 2.200 -8.799 1.059) 9.131 15.572 ( 0.898 -1.926 -1.759) 2.759 15.572 ( 0.898 -1.926 1.759) 2.759 15.842 ( 1.418 -4.510 -2.255) 5.238 15.842 ( 1.418 -4.510 2.255) 5.238 16.660 ( -2.169 -8.794 -2.717) 9.456 16.660 ( -2.169 -8.794 2.717) 9.456 16.927 ( -1.096 -9.323 -2.580) 9.736 16.927 ( -1.096 -9.323 2.580) 9.736 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 11.946 6.901 -11.098) 17.705 1.519 ( 11.946 6.901 11.098) 17.705 1.583 ( 12.727 12.315 -11.467) 21.098 1.583 ( 12.727 12.315 11.467) 21.098 1.807 ( -11.794 7.254 -7.014) 15.521 1.807 ( -11.794 7.254 7.014) 15.521 1.889 ( -13.548 13.527 -5.887) 20.029 1.889 ( -13.548 13.527 5.887) 20.029 2.273 ( 0.134 13.148 -0.945) 13.183 2.273 ( 0.134 13.148 0.945) 13.183 2.435 ( 2.184 13.480 -0.478) 13.664 2.435 ( 2.184 13.480 0.478) 13.664 2.670 ( 12.368 14.869 -14.042) 23.900 2.670 ( 12.368 14.869 14.042) 23.900 2.826 ( -0.140 14.384 -1.892) 14.508 2.826 ( -0.140 14.384 1.892) 14.508 2.967 ( 8.495 8.368 -6.759) 13.707 2.967 ( 8.495 8.368 6.759) 13.707 3.025 ( 6.398 5.976 -7.745) 11.689 3.025 ( 6.398 5.976 7.745) 11.689 3.135 ( 6.121 12.992 -2.454) 14.570 3.135 ( 6.121 12.992 2.454) 14.570 3.343 ( -4.937 2.702 -7.242) 9.172 3.343 ( -4.937 2.702 7.242) 9.172 3.582 ( -16.679 3.634 -11.787) 20.744 3.582 ( -16.679 3.634 11.787) 20.744 3.620 ( -12.167 -1.487 -7.603) 14.424 3.620 ( -12.167 -1.487 7.603) 14.424 4.782 ( 0.163 0.056 -3.986) 3.989 4.782 ( 0.163 0.056 3.986) 3.989 5.007 ( -0.806 -2.679 -0.149) 2.801 5.007 ( -0.806 -2.679 0.149) 2.801 5.177 ( 1.453 -3.419 -1.127) 3.882 5.177 ( 1.453 -3.419 1.127) 3.882 5.672 ( 3.528 -3.215 -0.620) 4.813 5.672 ( 3.528 -3.215 0.620) 4.813 6.167 ( 3.155 0.752 -5.380) 6.282 6.167 ( 3.155 0.752 5.380) 6.282 6.522 ( -6.229 -5.687 -6.337) 10.549 6.522 ( -6.229 -5.687 6.337) 10.549 7.649 ( 2.850 -5.671 -3.948) 7.475 7.649 ( 2.850 -5.671 3.948) 7.475 7.840 ( 1.064 1.736 -3.095) 3.704 7.840 ( 1.064 1.736 3.095) 3.704 8.110 ( -1.013 13.115 -2.205) 13.338 8.110 ( -1.013 13.115 2.205) 13.338 8.248 ( -1.457 9.696 -1.051) 9.861 8.248 ( -1.457 9.696 1.051) 9.861 8.991 ( 4.840 12.377 -1.123) 13.337 8.991 ( 4.840 12.377 1.123) 13.337 9.398 ( -1.935 9.444 -1.639) 9.778 9.398 ( -1.935 9.444 1.639) 9.778 9.500 ( 3.976 3.823 -1.442) 5.701 9.500 ( 3.976 3.823 1.442) 5.701 9.593 ( -5.216 3.180 -2.859) 6.745 9.593 ( -5.216 3.180 2.859) 6.745 10.166 ( 1.635 -1.371 -1.264) 2.480 10.166 ( 1.635 -1.371 1.264) 2.480 10.788 ( 17.509 -0.156 -7.751) 19.148 10.788 ( 17.509 -0.156 7.751) 19.148 10.885 ( 0.620 -9.389 -0.744) 9.439 10.885 ( 0.620 -9.389 0.744) 9.439 11.124 ( 1.438 -3.353 -5.775) 6.830 11.124 ( 1.438 -3.353 5.775) 6.830 11.347 ( -3.734 -10.894 -1.534) 11.618 11.347 ( -3.734 -10.894 1.534) 11.618 11.470 ( -8.274 -0.218 -1.176) 8.359 11.470 ( -8.274 -0.218 1.176) 8.359 11.647 ( -8.103 6.055 -1.790) 10.273 11.647 ( -8.103 6.055 1.790) 10.273 12.395 ( -0.483 9.772 -1.438) 9.889 12.395 ( -0.483 9.772 1.438) 9.889 13.331 ( -1.565 -4.042 -1.635) 4.633 13.331 ( -1.565 -4.042 1.635) 4.633 13.843 ( 1.144 -8.168 -0.367) 8.256 13.843 ( 1.144 -8.168 0.367) 8.256 15.611 ( 2.263 -2.165 -1.465) 3.458 15.611 ( 2.263 -2.165 1.465) 3.458 15.843 ( -0.966 -3.981 -1.667) 4.422 15.843 ( -0.966 -3.981 1.667) 4.422 16.623 ( -1.118 -8.463 -1.040) 8.599 16.623 ( -1.118 -8.463 1.040) 8.599 16.910 ( -0.474 -8.502 -1.116) 8.588 16.910 ( -0.474 -8.502 1.116) 8.588 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 0.000 12.836 -6.808) 14.530 1.457 ( 0.000 12.836 6.808) 14.530 1.600 ( 0.000 17.607 -7.857) 19.280 1.600 ( 0.000 17.607 7.857) 19.280 2.253 ( 0.000 2.485 -5.380) 5.926 2.253 ( 0.000 2.485 5.380) 5.926 2.459 ( 0.000 7.750 -1.030) 7.818 2.459 ( 0.000 7.750 1.030) 7.818 2.592 ( 0.000 10.449 -1.467) 10.551 2.592 ( 0.000 10.449 1.467) 10.551 2.654 ( 0.000 17.366 -2.319) 17.520 2.654 ( 0.000 17.366 2.319) 17.520 2.775 ( 0.000 21.799 -4.368) 22.232 2.775 ( 0.000 21.799 4.368) 22.232 2.845 ( 0.000 23.266 -0.788) 23.279 2.845 ( 0.000 23.266 0.788) 23.279 3.059 ( 0.000 18.934 -1.573) 18.999 3.059 ( 0.000 18.934 1.573) 18.999 3.157 ( 0.000 26.873 -7.940) 28.021 3.157 ( 0.000 26.873 7.940) 28.021 3.523 ( 0.000 4.003 -13.638) 14.213 3.523 ( 0.000 4.003 13.638) 14.213 3.572 ( 0.000 21.956 -4.426) 22.397 3.572 ( 0.000 21.956 4.426) 22.397 3.949 ( 0.000 4.702 -10.492) 11.497 3.949 ( 0.000 4.702 10.492) 11.497 4.322 ( 0.000 4.525 -10.197) 11.156 4.322 ( 0.000 4.525 10.197) 11.156 4.690 ( 0.000 -2.542 -0.557) 2.602 4.690 ( 0.000 -2.542 0.557) 2.602 4.870 ( 0.000 -0.394 -3.459) 3.482 4.870 ( 0.000 -0.394 3.459) 3.482 5.109 ( 0.000 -5.439 -3.360) 6.393 5.109 ( 0.000 -5.439 3.360) 6.393 5.442 ( 0.000 -2.415 -2.018) 3.147 5.442 ( 0.000 -2.415 2.018) 3.147 6.133 ( 0.000 1.654 -0.532) 1.738 6.133 ( 0.000 1.654 0.532) 1.738 6.645 ( 0.000 -5.198 -0.312) 5.207 6.645 ( 0.000 -5.198 0.312) 5.207 7.425 ( 0.000 -1.990 -6.981) 7.259 7.425 ( 0.000 -1.990 6.981) 7.259 7.771 ( 0.000 -1.819 -1.897) 2.628 7.771 ( 0.000 -1.819 1.897) 2.628 8.205 ( 0.000 1.328 -0.454) 1.403 8.205 ( 0.000 1.328 0.454) 1.403 8.578 ( 0.000 13.226 -2.000) 13.376 8.578 ( 0.000 13.226 2.000) 13.376 9.125 ( 0.000 12.141 -1.562) 12.241 9.125 ( 0.000 12.141 1.562) 12.241 9.468 ( 0.000 7.502 -8.694) 11.484 9.468 ( 0.000 7.502 8.694) 11.484 9.669 ( 0.000 -3.335 -2.231) 4.012 9.669 ( 0.000 -3.335 2.231) 4.012 9.797 ( 0.000 4.768 -1.388) 4.966 9.797 ( 0.000 4.768 1.388) 4.966 9.984 ( 0.000 -12.015 -4.663) 12.888 9.984 ( 0.000 -12.015 4.663) 12.888 10.413 ( 0.000 19.609 -10.005) 22.014 10.413 ( 0.000 19.609 10.005) 22.014 10.741 ( 0.000 -0.468 -0.242) 0.527 10.741 ( 0.000 -0.468 0.242) 0.527 11.253 ( 0.000 8.733 -7.130) 11.274 11.253 ( 0.000 8.733 7.130) 11.274 11.329 ( 0.000 -1.477 -0.590) 1.590 11.329 ( 0.000 -1.477 0.590) 1.590 11.595 ( 0.000 4.902 -3.981) 6.315 11.595 ( 0.000 4.902 3.981) 6.315 11.984 ( 0.000 -3.715 -7.455) 8.329 11.984 ( 0.000 -3.715 7.455) 8.329 12.600 ( 0.000 0.130 -0.800) 0.811 12.600 ( 0.000 0.130 0.800) 0.811 13.276 ( 0.000 -8.269 -8.627) 11.950 13.276 ( 0.000 -8.269 8.627) 11.950 13.523 ( 0.000 -14.947 -0.015) 14.947 13.523 ( 0.000 -14.947 0.015) 14.947 15.481 ( 0.000 -6.694 -0.661) 6.726 15.481 ( 0.000 -6.694 0.661) 6.726 15.706 ( 0.000 -5.677 -2.709) 6.290 15.706 ( 0.000 -5.677 2.709) 6.290 16.439 ( 0.000 -13.918 -1.309) 13.979 16.439 ( 0.000 -13.918 1.309) 13.979 16.662 ( 0.000 -16.279 -2.263) 16.435 16.662 ( 0.000 -16.279 2.263) 16.435 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 7.234 12.066 -10.005) 17.263 1.533 ( 7.234 12.066 10.005) 17.263 1.658 ( 6.345 15.489 -12.095) 20.651 1.658 ( 6.345 15.489 12.095) 20.651 2.132 ( -9.306 4.430 -1.653) 10.438 2.132 ( -9.306 4.430 1.653) 10.438 2.441 ( -6.483 13.143 -6.164) 15.898 2.441 ( -6.483 13.143 6.164) 15.898 2.657 ( 1.556 17.681 -1.399) 17.805 2.657 ( 1.556 17.681 1.399) 17.805 2.701 ( 4.810 17.668 -3.046) 18.562 2.701 ( 4.810 17.668 3.046) 18.562 2.766 ( 6.510 9.605 -6.276) 13.192 2.766 ( 6.510 9.605 6.276) 13.192 2.912 ( 5.770 17.269 -2.876) 18.433 2.912 ( 5.770 17.269 2.876) 18.433 3.100 ( 3.562 19.935 -6.133) 21.159 3.100 ( 3.562 19.935 6.133) 21.159 3.219 ( 5.655 24.522 -11.507) 27.672 3.219 ( 5.655 24.522 11.507) 27.672 3.475 ( -3.666 7.866 -12.142) 14.925 3.475 ( -3.666 7.866 12.142) 14.925 3.566 ( -1.064 20.111 -8.329) 21.793 3.566 ( -1.064 20.111 8.329) 21.793 3.854 ( -9.601 3.356 -9.556) 13.955 3.854 ( -9.601 3.356 9.556) 13.955 4.127 ( -16.004 10.764 -11.531) 22.471 4.127 ( -16.004 10.764 11.531) 22.471 4.733 ( 2.592 -2.904 -3.732) 5.392 4.733 ( 2.592 -2.904 3.732) 5.392 4.939 ( 4.532 -0.472 -4.348) 6.299 4.939 ( 4.532 -0.472 4.348) 6.299 5.075 ( -2.180 -5.499 -3.841) 7.053 5.075 ( -2.180 -5.499 3.841) 7.053 5.498 ( 4.654 -3.970 -1.323) 6.258 5.498 ( 4.654 -3.970 1.323) 6.258 6.144 ( 1.587 2.165 -4.094) 4.896 6.144 ( 1.587 2.165 4.094) 4.896 6.566 ( -7.152 -4.255 -6.435) 10.520 6.566 ( -7.152 -4.255 6.435) 10.520 7.478 ( 4.211 -3.411 -5.682) 7.852 7.478 ( 4.211 -3.411 5.682) 7.852 7.783 ( 1.253 -2.628 -3.197) 4.324 7.783 ( 1.253 -2.628 3.197) 4.324 8.263 ( 4.256 2.475 -0.837) 4.994 8.263 ( 4.256 2.475 0.837) 4.994 8.538 ( -3.023 12.657 -1.238) 13.072 8.538 ( -3.023 12.657 1.238) 13.072 9.177 ( 4.898 13.047 -1.195) 13.987 9.177 ( 4.898 13.047 1.195) 13.987 9.493 ( 3.301 6.672 -3.611) 8.274 9.493 ( 3.301 6.672 3.611) 8.274 9.681 ( -0.346 3.040 -1.950) 3.629 9.681 ( -0.346 3.040 1.950) 3.629 9.776 ( -3.217 5.682 -2.696) 7.065 9.776 ( -3.217 5.682 2.696) 7.065 9.979 ( 2.287 -11.074 -0.366) 11.314 9.979 ( 2.287 -11.074 0.366) 11.314 10.542 ( 10.822 11.493 -5.636) 16.762 10.542 ( 10.822 11.493 5.636) 16.762 10.733 ( -0.409 -1.614 -2.510) 3.012 10.733 ( -0.409 -1.614 2.510) 3.012 11.147 ( -6.477 3.233 -5.549) 9.121 11.147 ( -6.477 3.233 5.549) 9.121 11.330 ( -2.660 0.585 -2.252) 3.534 11.330 ( -2.660 0.585 2.252) 3.534 11.601 ( -0.310 5.141 -1.829) 5.465 11.601 ( -0.310 5.141 1.829) 5.465 11.921 ( -7.310 -0.327 -6.496) 9.784 11.921 ( -7.310 -0.327 6.496) 9.784 12.553 ( -2.346 2.253 -1.667) 3.655 12.553 ( -2.346 2.253 1.667) 3.655 13.238 ( -3.549 -9.838 -6.107) 12.111 13.238 ( -3.549 -9.838 6.107) 12.111 13.557 ( 2.676 -14.819 -1.185) 15.106 13.557 ( 2.676 -14.819 1.185) 15.106 15.490 ( 1.369 -5.986 -0.868) 6.201 15.490 ( 1.369 -5.986 0.868) 6.201 15.727 ( 1.391 -6.156 -2.651) 6.845 15.727 ( 1.391 -6.156 2.651) 6.845 16.417 ( -1.877 -13.894 -1.492) 14.100 16.417 ( -1.877 -13.894 1.492) 14.100 16.664 ( 0.191 -15.518 -2.119) 15.663 16.664 ( 0.191 -15.518 2.119) 15.663 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 7.613 9.679 -10.410) 16.125 1.690 ( 7.613 9.679 10.410) 16.125 1.834 ( 7.850 10.397 -13.290) 18.610 1.834 ( 7.850 10.397 13.290) 18.610 1.968 ( -3.931 10.045 -7.497) 13.136 1.968 ( -3.931 10.045 7.497) 13.136 2.225 ( -12.981 14.990 -9.219) 21.868 2.225 ( -12.981 14.990 9.219) 21.868 2.663 ( -0.104 22.167 -1.244) 22.202 2.663 ( -0.104 22.167 1.244) 22.202 2.783 ( 3.073 18.754 -1.588) 19.071 2.783 ( 3.073 18.754 1.588) 19.071 2.938 ( 7.290 6.331 -4.125) 10.500 2.938 ( 7.290 6.331 4.125) 10.500 3.053 ( 3.394 6.915 -1.805) 7.911 3.053 ( 3.394 6.915 1.805) 7.911 3.170 ( 6.521 13.818 -3.736) 15.730 3.170 ( 6.521 13.818 3.736) 15.730 3.326 ( 1.093 16.364 -8.837) 18.630 3.326 ( 1.093 16.364 8.837) 18.630 3.455 ( 4.292 15.686 -3.179) 16.571 3.455 ( 4.292 15.686 3.179) 16.571 3.541 ( -0.693 16.589 -6.001) 17.654 3.541 ( -0.693 16.589 6.001) 17.654 3.640 ( -8.053 10.003 -4.414) 13.579 3.640 ( -8.053 10.003 4.414) 13.579 3.799 ( -16.554 19.058 -12.216) 28.043 3.799 ( -16.554 19.058 12.216) 28.043 4.787 ( 2.692 0.376 -3.982) 4.821 4.787 ( 2.692 0.376 3.982) 4.821 4.931 ( -3.213 -4.190 -1.398) 5.462 4.931 ( -3.213 -4.190 1.398) 5.462 5.095 ( 2.223 -3.907 -0.553) 4.529 5.095 ( 2.223 -3.907 0.553) 4.529 5.575 ( 2.430 -6.071 -0.362) 6.549 5.575 ( 2.430 -6.071 0.362) 6.549 6.204 ( 4.022 2.919 -5.367) 7.314 6.204 ( 4.022 2.919 5.367) 7.314 6.418 ( -6.618 -3.616 -6.583) 10.010 6.418 ( -6.618 -3.616 6.583) 10.010 7.542 ( 1.826 -4.949 -2.474) 5.826 7.542 ( 1.826 -4.949 2.474) 5.826 7.813 ( 1.337 -3.653 -2.149) 4.444 7.813 ( 1.337 -3.653 2.149) 4.444 8.304 ( 0.081 5.703 -0.837) 5.765 8.304 ( 0.081 5.703 0.837) 5.765 8.504 ( -0.388 11.123 -0.309) 11.134 8.504 ( -0.388 11.123 0.309) 11.134 9.292 ( 5.562 14.259 -1.904) 15.423 9.292 ( 5.562 14.259 1.904) 15.423 9.576 ( 3.193 8.188 -2.789) 9.221 9.576 ( 3.193 8.188 2.789) 9.221 9.630 ( -2.869 5.819 -1.634) 6.691 9.630 ( -2.869 5.819 1.634) 6.691 9.701 ( -3.345 7.722 -2.055) 8.662 9.701 ( -3.345 7.722 2.055) 8.662 10.064 ( 4.056 -9.419 -1.553) 10.372 10.064 ( 4.056 -9.419 1.553) 10.372 10.653 ( -0.333 -7.846 -1.587) 8.012 10.653 ( -0.333 -7.846 1.587) 8.012 10.816 ( 7.484 2.606 -3.675) 8.735 10.816 ( 7.484 2.606 3.675) 8.735 11.074 ( -0.885 -0.224 -2.731) 2.879 11.074 ( -0.885 -0.224 2.731) 2.879 11.280 ( 0.706 3.291 -1.018) 3.517 11.280 ( 0.706 3.291 1.018) 3.517 11.494 ( -11.295 2.711 -2.109) 11.805 11.494 ( -11.295 2.711 2.109) 11.805 11.785 ( -3.208 7.419 -1.367) 8.198 11.785 ( -3.208 7.419 1.367) 8.198 12.554 ( 1.229 4.888 -0.535) 5.068 12.554 ( 1.229 4.888 0.535) 5.068 13.170 ( -2.493 -11.733 -2.048) 12.169 13.170 ( -2.493 -11.733 2.048) 12.169 13.597 ( 1.164 -15.275 -0.608) 15.332 13.597 ( 1.164 -15.275 0.608) 15.332 15.531 ( 2.023 -5.693 -0.945) 6.115 15.531 ( 2.023 -5.693 0.945) 6.115 15.736 ( -0.370 -6.020 -1.521) 6.220 15.736 ( -0.370 -6.020 1.521) 6.220 16.386 ( -0.990 -13.844 -0.698) 13.897 16.386 ( -0.990 -13.844 0.698) 13.897 16.667 ( 0.068 -14.520 -0.977) 14.553 16.667 ( 0.068 -14.520 0.977) 14.553 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.000 12.874 -1.887) 13.012 1.728 ( 0.000 12.874 1.887) 13.012 1.968 ( 0.000 17.345 -3.668) 17.729 1.968 ( 0.000 17.345 3.668) 17.729 2.293 ( 0.000 1.740 -3.812) 4.190 2.293 ( 0.000 1.740 3.812) 4.190 2.535 ( 0.000 1.818 -4.817) 5.148 2.535 ( 0.000 1.818 4.817) 5.148 2.720 ( 0.000 6.901 -2.273) 7.266 2.720 ( 0.000 6.901 2.273) 7.266 3.069 ( 0.000 17.660 -0.726) 17.675 3.069 ( 0.000 17.660 0.726) 17.675 3.212 ( 0.000 7.685 -9.358) 12.110 3.212 ( 0.000 7.685 9.358) 12.110 3.302 ( 0.000 17.306 -1.182) 17.346 3.302 ( 0.000 17.306 1.182) 17.346 3.365 ( 0.000 22.487 -4.423) 22.918 3.365 ( 0.000 22.487 4.423) 22.918 3.616 ( 0.000 5.936 -10.359) 11.939 3.616 ( 0.000 5.936 10.359) 11.939 3.810 ( 0.000 32.962 -14.483) 36.003 3.810 ( 0.000 32.962 14.483) 36.003 3.918 ( 0.000 5.131 -12.505) 13.516 3.918 ( 0.000 5.131 12.505) 13.516 4.194 ( 0.000 21.372 -5.678) 22.114 4.194 ( 0.000 21.372 5.678) 22.114 4.529 ( 0.000 13.451 -5.709) 14.613 4.529 ( 0.000 13.451 5.709) 14.613 4.621 ( 0.000 -2.000 -0.832) 2.166 4.621 ( 0.000 -2.000 0.832) 2.166 4.923 ( 0.000 1.960 -0.543) 2.034 4.923 ( 0.000 1.960 0.543) 2.034 5.019 ( 0.000 2.218 -5.345) 5.786 5.019 ( 0.000 2.218 5.345) 5.786 5.392 ( 0.000 -1.732 -3.982) 4.342 5.392 ( 0.000 -1.732 3.982) 4.342 6.190 ( 0.000 3.684 -0.967) 3.809 6.190 ( 0.000 3.684 0.967) 3.809 6.578 ( 0.000 -1.300 -1.101) 1.703 6.578 ( 0.000 -1.300 1.101) 1.703 7.392 ( 0.000 -1.333 -5.422) 5.584 7.392 ( 0.000 -1.333 5.422) 5.584 7.671 ( 0.000 -8.094 -6.896) 10.633 7.671 ( 0.000 -8.094 6.896) 10.633 8.263 ( 0.000 4.389 -0.197) 4.393 8.263 ( 0.000 4.389 0.197) 4.393 8.769 ( 0.000 4.785 -1.168) 4.926 8.769 ( 0.000 4.785 1.168) 4.926 9.197 ( 0.000 -4.553 -0.483) 4.579 9.197 ( 0.000 -4.553 0.483) 4.579 9.528 ( 0.000 -0.749 -9.006) 9.037 9.528 ( 0.000 -0.749 9.006) 9.037 9.557 ( 0.000 -9.140 -5.460) 10.647 9.557 ( 0.000 -9.140 5.460) 10.647 9.787 ( 0.000 -0.785 -0.228) 0.818 9.787 ( 0.000 -0.785 0.228) 0.818 9.994 ( 0.000 12.127 -5.047) 13.136 9.994 ( 0.000 12.127 5.047) 13.136 10.838 ( 0.000 20.158 -5.546) 20.907 10.838 ( 0.000 20.158 5.546) 20.907 10.898 ( 0.000 12.060 -1.890) 12.207 10.898 ( 0.000 12.060 1.890) 12.207 11.338 ( 0.000 2.685 -0.458) 2.724 11.338 ( 0.000 2.685 0.458) 2.724 11.387 ( 0.000 2.725 -9.538) 9.920 11.387 ( 0.000 2.725 9.538) 9.920 11.728 ( 0.000 7.572 -2.938) 8.122 11.728 ( 0.000 7.572 2.938) 8.122 11.872 ( 0.000 -6.630 -4.514) 8.021 11.872 ( 0.000 -6.630 4.514) 8.021 12.526 ( 0.000 -6.726 -2.176) 7.069 12.526 ( 0.000 -6.726 2.176) 7.069 13.077 ( 0.000 -9.971 -7.250) 12.328 13.077 ( 0.000 -9.971 7.250) 12.328 13.180 ( 0.000 -18.205 -0.626) 18.216 13.180 ( 0.000 -18.205 0.626) 18.216 15.319 ( 0.000 -8.256 -2.742) 8.700 15.319 ( 0.000 -8.256 2.742) 8.700 15.597 ( 0.000 -4.681 -4.720) 6.647 15.597 ( 0.000 -4.681 4.720) 6.647 16.146 ( 0.000 -13.595 -0.533) 13.605 16.146 ( 0.000 -13.595 0.533) 13.605 16.295 ( 0.000 -18.527 -1.768) 18.611 16.295 ( 0.000 -18.527 1.768) 18.611 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 5.454 11.862 -3.222) 13.448 1.784 ( 5.454 11.862 3.222) 13.448 1.979 ( 1.671 14.815 -6.422) 16.233 1.979 ( 1.671 14.815 6.422) 16.233 2.233 ( -4.311 5.291 -0.517) 6.844 2.233 ( -4.311 5.291 0.517) 6.844 2.596 ( 0.884 3.701 -7.844) 8.718 2.596 ( 0.884 3.701 7.844) 8.718 2.778 ( 6.244 3.739 -3.359) 8.016 2.778 ( 6.244 3.739 3.359) 8.016 3.007 ( -2.043 12.759 -4.601) 13.716 3.007 ( -2.043 12.759 4.601) 13.716 3.199 ( -1.828 15.540 -3.592) 16.054 3.199 ( -1.828 15.540 3.592) 16.054 3.309 ( -0.731 8.452 -5.185) 9.942 3.309 ( -0.731 8.452 5.185) 9.942 3.339 ( -1.416 21.123 -2.648) 21.335 3.339 ( -1.416 21.123 2.648) 21.335 3.622 ( -0.937 6.957 -5.608) 8.985 3.622 ( -0.937 6.957 5.608) 8.985 3.817 ( -0.220 22.132 -7.954) 23.519 3.817 ( -0.220 22.132 7.954) 23.519 3.936 ( 3.426 18.606 -4.395) 19.423 3.936 ( 3.426 18.606 4.395) 19.423 4.121 ( -5.689 21.923 -5.692) 23.353 4.121 ( -5.689 21.923 5.692) 23.353 4.453 ( -7.136 17.024 -6.419) 19.544 4.453 ( -7.136 17.024 6.419) 19.544 4.679 ( 4.866 -0.195 -1.750) 5.175 4.679 ( 4.866 -0.195 1.750) 5.175 4.954 ( 0.090 -2.045 -1.784) 2.715 4.954 ( 0.090 -2.045 1.784) 2.715 5.009 ( 1.125 5.616 -2.833) 6.389 5.009 ( 1.125 5.616 2.833) 6.389 5.410 ( 1.551 -3.674 -3.202) 5.114 5.410 ( 1.551 -3.674 3.202) 5.114 6.207 ( 1.968 3.728 -2.838) 5.082 6.207 ( 1.968 3.728 2.838) 5.082 6.519 ( -5.561 -0.303 -5.043) 7.513 6.519 ( -5.561 -0.303 5.043) 7.513 7.412 ( 1.620 -3.148 -4.730) 5.909 7.412 ( 1.620 -3.148 4.730) 5.909 7.681 ( 1.103 -7.286 -5.791) 9.372 7.681 ( 1.103 -7.286 5.791) 9.372 8.319 ( 4.577 3.446 -0.690) 5.770 8.319 ( 4.577 3.446 0.690) 5.770 8.707 ( -4.774 3.755 -1.467) 6.248 8.707 ( -4.774 3.755 1.467) 6.248 9.295 ( 8.643 -1.988 -2.609) 9.245 9.295 ( 8.643 -1.988 2.609) 9.245 9.539 ( 4.208 -1.998 -8.476) 9.672 9.539 ( 4.208 -1.998 8.476) 9.672 9.688 ( 9.629 -6.992 -4.573) 12.748 9.688 ( 9.629 -6.992 4.573) 12.748 9.769 ( -1.906 -0.452 -0.606) 2.051 9.769 ( -1.906 -0.452 0.606) 2.051 9.975 ( -1.731 13.533 -3.789) 14.160 9.975 ( -1.731 13.533 3.789) 14.160 10.772 ( -12.034 5.041 -2.997) 13.387 10.772 ( -12.034 5.041 2.997) 13.387 10.896 ( 4.879 16.758 -3.766) 17.856 10.896 ( 4.879 16.758 3.766) 17.856 11.230 ( -6.074 5.697 -3.129) 8.896 11.230 ( -6.074 5.697 3.129) 8.896 11.366 ( -3.750 1.583 -3.611) 5.442 11.366 ( -3.750 1.583 3.611) 5.442 11.735 ( -0.738 6.978 -0.771) 7.059 11.735 ( -0.738 6.978 0.771) 7.059 11.920 ( 2.602 1.102 -4.316) 5.159 11.920 ( 2.602 1.102 4.316) 5.159 12.508 ( 0.149 -6.806 -1.154) 6.905 12.508 ( 0.149 -6.806 1.154) 6.905 13.001 ( -6.332 -12.009 -5.693) 14.722 13.001 ( -6.332 -12.009 5.693) 14.722 13.215 ( 2.058 -17.671 -3.481) 18.128 13.215 ( 2.058 -17.671 3.481) 18.128 15.341 ( 2.149 -7.895 -2.463) 8.545 15.341 ( 2.149 -7.895 2.463) 8.545 15.604 ( 0.543 -5.526 -4.158) 6.936 15.604 ( 0.543 -5.526 4.158) 6.936 16.123 ( -2.030 -13.793 -0.399) 13.947 16.123 ( -2.030 -13.793 0.399) 13.947 16.314 ( 1.599 -17.553 -1.869) 17.725 16.314 ( 1.599 -17.553 1.869) 17.725 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 4.447 9.776 -6.125) 12.363 1.895 ( 4.447 9.776 6.125) 12.363 2.023 ( 0.846 8.293 -9.554) 12.680 2.023 ( 0.846 8.293 9.554) 12.680 2.206 ( 4.031 12.054 -5.308) 13.774 2.206 ( 4.031 12.054 5.308) 13.774 2.460 ( -11.256 8.086 -10.252) 17.239 2.460 ( -11.256 8.086 10.252) 17.239 2.929 ( 7.402 1.869 -0.959) 7.694 2.929 ( 7.402 1.869 0.959) 7.694 3.085 ( 5.098 8.739 -4.883) 11.234 3.085 ( 5.098 8.739 4.883) 11.234 3.128 ( -3.421 9.225 -6.458) 11.769 3.128 ( -3.421 9.225 6.458) 11.769 3.280 ( -0.794 15.683 -3.167) 16.019 3.280 ( -0.794 15.683 3.167) 16.019 3.352 ( 3.002 12.743 -0.706) 13.111 3.352 ( 3.002 12.743 0.706) 13.111 3.503 ( -10.068 3.444 -1.150) 10.703 3.503 ( -10.068 3.444 1.150) 10.703 3.856 ( 4.279 21.208 -6.092) 22.476 3.856 ( 4.279 21.208 6.092) 22.476 3.969 ( -3.814 22.654 -5.669) 23.662 3.969 ( -3.814 22.654 5.669) 23.662 4.102 ( 7.123 25.825 -5.900) 27.432 4.102 ( 7.123 25.825 5.900) 27.432 4.282 ( -9.860 23.871 -7.942) 27.021 4.282 ( -9.860 23.871 7.942) 27.021 4.774 ( 4.328 -1.570 -2.081) 5.052 4.774 ( 4.328 -1.570 2.081) 5.052 4.900 ( -3.604 3.139 -2.646) 5.463 4.900 ( -3.604 3.139 2.646) 5.463 5.061 ( 2.028 2.612 -0.417) 3.334 5.061 ( 2.028 2.612 0.417) 3.334 5.436 ( 0.882 -6.423 -1.234) 6.599 5.436 ( 0.882 -6.423 1.234) 6.599 6.274 ( 4.993 3.062 -5.079) 7.753 6.274 ( 4.993 3.062 5.079) 7.753 6.392 ( -6.882 1.554 -6.337) 9.483 6.392 ( -6.882 1.554 6.337) 9.483 7.437 ( 0.740 -5.391 -1.938) 5.776 7.437 ( 0.740 -5.391 1.938) 5.776 7.707 ( 1.056 -6.572 -2.336) 7.054 7.707 ( 1.056 -6.572 2.336) 7.054 8.383 ( 1.469 2.932 -1.052) 3.444 8.383 ( 1.469 2.932 1.052) 3.444 8.639 ( -1.707 2.744 -1.158) 3.432 8.639 ( -1.707 2.744 1.158) 3.432 9.464 ( 7.179 2.219 -3.497) 8.288 9.464 ( 7.179 2.219 3.497) 8.288 9.634 ( 0.682 -7.290 -1.474) 7.469 9.634 ( 0.682 -7.290 1.474) 7.469 9.751 ( 3.144 4.028 -2.262) 5.588 9.751 ( 3.144 4.028 2.262) 5.588 9.861 ( 5.950 3.402 -5.235) 8.625 9.861 ( 5.950 3.402 5.235) 8.625 9.939 ( -1.722 9.383 -3.299) 10.094 9.939 ( -1.722 9.383 3.299) 10.094 10.522 ( -10.023 -6.092 -2.643) 12.023 10.522 ( -10.023 -6.092 2.643) 12.023 10.992 ( 4.183 10.269 -2.485) 11.364 10.992 ( 4.183 10.269 2.485) 11.364 11.089 ( -7.202 2.167 -2.208) 7.838 11.089 ( -7.202 2.167 2.208) 7.838 11.396 ( 7.627 7.500 -1.919) 10.868 11.396 ( 7.627 7.500 1.919) 10.868 11.615 ( -10.859 9.013 -1.965) 14.248 11.615 ( -10.859 9.013 1.965) 14.248 11.952 ( 0.962 8.730 -0.719) 8.812 11.952 ( 0.962 8.730 0.719) 8.812 12.573 ( 4.909 -3.990 -0.599) 6.354 12.573 ( 4.909 -3.990 0.599) 6.354 12.870 ( -5.883 -15.999 -2.491) 17.228 12.870 ( -5.883 -15.999 2.491) 17.228 13.240 ( 0.554 -18.346 -1.382) 18.406 13.240 ( 0.554 -18.346 1.382) 18.406 15.386 ( 1.818 -7.922 -1.219) 8.219 15.386 ( 1.818 -7.922 1.219) 8.219 15.609 ( -0.111 -6.112 -1.908) 6.404 15.609 ( -0.111 -6.112 1.908) 6.404 16.088 ( -1.122 -14.018 -0.208) 14.065 16.088 ( -1.122 -14.018 0.208) 14.065 16.341 ( 0.807 -16.284 -0.912) 16.330 16.341 ( 0.807 -16.284 0.912) 16.330 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 0.000 10.646 -0.939) 10.687 1.973 ( 0.000 10.646 0.939) 10.687 2.267 ( 0.000 8.653 -4.574) 9.788 2.267 ( 0.000 8.653 4.574) 9.788 2.344 ( 0.000 5.303 -1.982) 5.661 2.344 ( 0.000 5.303 1.982) 5.661 2.565 ( 0.000 1.504 -2.321) 2.766 2.565 ( 0.000 1.504 2.321) 2.766 2.891 ( 0.000 9.368 -2.688) 9.746 2.891 ( 0.000 9.368 2.688) 9.746 3.247 ( 0.000 0.562 -10.543) 10.558 3.247 ( 0.000 0.562 10.543) 10.558 3.323 ( 0.000 6.600 -6.580) 9.320 3.323 ( 0.000 6.600 6.580) 9.320 3.588 ( 0.000 8.462 -4.921) 9.789 3.588 ( 0.000 8.462 4.921) 9.789 3.729 ( 0.000 5.938 -8.649) 10.491 3.729 ( 0.000 5.938 8.649) 10.491 3.816 ( 0.000 18.113 -5.402) 18.902 3.816 ( 0.000 18.113 5.402) 18.902 3.899 ( 0.000 -2.820 -11.033) 11.388 3.899 ( 0.000 -2.820 11.033) 11.388 4.458 ( 0.000 4.589 -5.775) 7.376 4.458 ( 0.000 4.589 5.775) 7.376 4.493 ( 0.000 22.971 -7.098) 24.043 4.493 ( 0.000 22.971 7.098) 24.043 4.567 ( 0.000 0.517 -6.404) 6.425 4.567 ( 0.000 0.517 6.404) 6.425 4.860 ( 0.000 9.609 -1.158) 9.678 4.860 ( 0.000 9.609 1.158) 9.678 4.982 ( 0.000 15.435 -0.106) 15.435 4.982 ( 0.000 15.435 0.106) 15.435 5.302 ( 0.000 19.441 -1.451) 19.495 5.302 ( 0.000 19.441 1.451) 19.495 5.442 ( 0.000 8.637 -4.167) 9.590 5.442 ( 0.000 8.637 4.167) 9.590 6.274 ( 0.000 4.154 -0.889) 4.248 6.274 ( 0.000 4.154 0.889) 4.248 6.589 ( 0.000 2.163 -2.219) 3.099 6.589 ( 0.000 2.163 2.219) 3.099 7.359 ( 0.000 -3.122 -4.333) 5.341 7.359 ( 0.000 -3.122 4.333) 5.341 7.449 ( 0.000 -11.594 -8.857) 14.590 7.449 ( 0.000 -11.594 8.857) 14.590 8.379 ( 0.000 6.490 -0.616) 6.519 8.379 ( 0.000 6.490 0.616) 6.519 8.798 ( 0.000 -0.651 -1.901) 2.010 8.798 ( 0.000 -0.651 1.901) 2.010 9.075 ( 0.000 -5.267 -0.024) 5.267 9.075 ( 0.000 -5.267 0.024) 5.267 9.398 ( 0.000 -4.603 -5.517) 7.185 9.398 ( 0.000 -4.603 5.517) 7.185 9.475 ( 0.000 -4.086 -3.854) 5.616 9.475 ( 0.000 -4.086 3.854) 5.616 9.834 ( 0.000 4.507 -2.589) 5.198 9.834 ( 0.000 4.507 2.589) 5.198 10.270 ( 0.000 12.792 -3.805) 13.346 10.270 ( 0.000 12.792 3.805) 13.346 11.053 ( 0.000 -0.479 -6.806) 6.822 11.053 ( 0.000 -0.479 6.806) 6.822 11.182 ( 0.000 8.164 -3.138) 8.747 11.182 ( 0.000 8.164 3.138) 8.747 11.350 ( 0.000 0.152 -0.062) 0.164 11.350 ( 0.000 0.152 0.062) 0.164 11.437 ( 0.000 3.611 -7.878) 8.666 11.437 ( 0.000 3.611 7.878) 8.666 11.670 ( 0.000 -6.369 -2.381) 6.800 11.670 ( 0.000 -6.369 2.381) 6.800 11.963 ( 0.000 9.658 -0.461) 9.670 11.963 ( 0.000 9.658 0.461) 9.670 12.391 ( 0.000 -5.140 -3.958) 6.488 12.391 ( 0.000 -5.140 3.958) 6.488 12.770 ( 0.000 -18.565 -6.061) 19.529 12.770 ( 0.000 -18.565 6.061) 19.529 12.894 ( 0.000 -9.446 -0.476) 9.458 12.894 ( 0.000 -9.446 0.476) 9.458 15.168 ( 0.000 -5.791 -4.923) 7.601 15.168 ( 0.000 -5.791 4.923) 7.601 15.515 ( 0.000 -3.336 -6.228) 7.065 15.515 ( 0.000 -3.336 6.228) 7.065 15.872 ( 0.000 -15.018 -2.405) 15.209 15.872 ( 0.000 -15.018 2.405) 15.209 15.964 ( 0.000 -10.380 -0.879) 10.417 15.964 ( 0.000 -10.380 0.879) 10.417 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 3.470 9.743 -1.236) 10.416 2.009 ( 3.470 9.743 1.236) 10.416 2.218 ( -3.174 7.249 -5.824) 9.825 2.218 ( -3.174 7.249 5.824) 9.825 2.359 ( 1.383 7.071 -1.826) 7.432 2.359 ( 1.383 7.071 1.826) 7.432 2.631 ( 3.391 0.328 -6.763) 7.572 2.631 ( 3.391 0.328 6.763) 7.572 2.903 ( 1.231 8.181 -3.176) 8.862 2.903 ( 1.231 8.181 3.176) 8.862 3.162 ( -2.785 3.640 -8.753) 9.880 3.162 ( -2.785 3.640 8.753) 9.880 3.317 ( -5.065 3.004 -9.887) 11.508 3.317 ( -5.065 3.004 9.887) 11.508 3.548 ( -0.440 9.115 -3.109) 9.640 3.548 ( -0.440 9.115 3.109) 9.640 3.708 ( -3.525 5.493 -5.556) 8.572 3.708 ( -3.525 5.493 5.556) 8.572 3.794 ( -2.317 17.794 -4.996) 18.626 3.794 ( -2.317 17.794 4.996) 18.626 3.983 ( 7.098 1.626 -2.113) 7.582 3.983 ( 7.098 1.626 2.113) 7.582 4.381 ( -5.446 2.887 -4.050) 7.375 4.381 ( -5.446 2.887 4.050) 7.375 4.486 ( -0.427 13.573 -5.216) 14.547 4.486 ( -0.427 13.573 5.216) 14.547 4.630 ( 4.539 13.222 -2.007) 14.123 4.630 ( 4.539 13.222 2.007) 14.123 4.888 ( 2.477 9.182 -1.328) 9.602 4.888 ( 2.477 9.182 1.328) 9.602 4.993 ( 0.306 12.837 -3.536) 13.319 4.993 ( 0.306 12.837 3.536) 13.319 5.292 ( -0.617 19.566 -1.043) 19.603 5.292 ( -0.617 19.566 1.043) 19.603 5.434 ( -0.743 8.635 -3.625) 9.395 5.434 ( -0.743 8.635 3.625) 9.395 6.287 ( 1.363 3.856 -1.134) 4.244 6.287 ( 1.363 3.856 1.134) 4.244 6.550 ( -3.639 3.030 -3.142) 5.683 6.550 ( -3.639 3.030 3.142) 5.683 7.330 ( -1.502 -5.605 -1.029) 5.894 7.330 ( -1.502 -5.605 1.029) 5.894 7.499 ( 3.519 -8.911 -4.444) 10.561 7.499 ( 3.519 -8.911 4.444) 10.561 8.411 ( 2.713 5.394 -2.285) 6.456 8.411 ( 2.713 5.394 2.285) 6.456 8.739 ( -4.325 0.694 -3.735) 5.756 8.739 ( -4.325 0.694 3.735) 5.756 9.181 ( 9.612 -6.735 -4.315) 12.505 9.181 ( 9.612 -6.735 4.315) 12.505 9.487 ( 1.870 -2.864 -4.696) 5.810 9.487 ( 1.870 -2.864 4.696) 5.810 9.529 ( 10.929 -5.810 -4.145) 13.053 9.529 ( 10.929 -5.810 4.145) 13.053 9.847 ( 2.068 5.505 -2.993) 6.599 9.847 ( 2.068 5.505 2.993) 6.599 10.260 ( -1.254 12.273 -4.057) 12.986 10.260 ( -1.254 12.273 4.057) 12.986 10.765 ( -20.915 -5.415 -6.170) 22.468 10.765 ( -20.915 -5.415 6.170) 22.468 11.193 ( -4.671 8.492 -2.446) 9.996 11.193 ( -4.671 8.492 2.446) 9.996 11.295 ( -5.376 0.236 -1.870) 5.697 11.295 ( -5.376 0.236 1.870) 5.697 11.467 ( 4.190 8.311 -5.150) 10.637 11.467 ( 4.190 8.311 5.150) 10.637 11.767 ( 7.426 -4.030 -2.595) 8.839 11.767 ( 7.426 -4.030 2.595) 8.839 12.040 ( 5.979 9.002 -1.091) 10.861 12.040 ( 5.979 9.002 1.091) 10.861 12.343 ( -3.247 -6.592 -1.458) 7.492 12.343 ( -3.247 -6.592 1.458) 7.492 12.715 ( -5.722 -16.251 -5.008) 17.942 12.715 ( -5.722 -16.251 5.008) 17.942 12.896 ( 0.195 -11.754 -1.781) 11.890 12.896 ( 0.195 -11.754 1.781) 11.890 15.190 ( 1.906 -6.243 -4.120) 7.719 15.190 ( 1.906 -6.243 4.120) 7.719 15.499 ( -1.227 -4.904 -4.846) 7.003 15.499 ( -1.227 -4.904 4.846) 7.003 15.866 ( -0.976 -11.649 -2.645) 11.985 15.866 ( -0.976 -11.649 2.645) 11.985 15.990 ( 2.512 -11.993 -2.605) 12.527 15.990 ( 2.512 -11.993 2.605) 12.527 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 2.805 7.957 -2.910) 8.925 2.080 ( 2.805 7.957 2.910) 8.925 2.174 ( -1.347 6.183 -5.874) 8.634 2.174 ( -1.347 6.183 5.874) 8.634 2.421 ( 5.827 7.676 -3.719) 10.329 2.421 ( 5.827 7.676 3.719) 10.329 2.575 ( -8.148 3.227 -9.326) 12.798 2.575 ( -8.148 3.227 9.326) 12.798 2.967 ( 4.816 3.055 -1.149) 5.818 2.967 ( 4.816 3.055 1.149) 5.818 3.178 ( -6.792 2.402 -5.585) 9.115 3.178 ( -6.792 2.402 5.585) 9.115 3.223 ( 6.917 4.298 -4.775) 9.441 3.223 ( 6.917 4.298 4.775) 9.441 3.499 ( -6.408 5.007 -1.828) 8.336 3.499 ( -6.408 5.007 1.828) 8.336 3.658 ( 0.291 13.031 -4.830) 13.901 3.658 ( 0.291 13.031 4.830) 13.901 3.745 ( -2.090 16.919 -3.606) 17.425 3.745 ( -2.090 16.919 3.606) 17.425 4.125 ( 7.273 4.110 -5.665) 10.094 4.125 ( 7.273 4.110 5.665) 10.094 4.263 ( -6.758 4.884 -6.823) 10.774 4.263 ( -6.758 4.884 6.823) 10.774 4.491 ( 0.565 5.135 -1.428) 5.359 4.491 ( 0.565 5.135 1.428) 5.359 4.721 ( 4.056 21.779 -3.195) 22.382 4.721 ( 4.056 21.779 3.195) 22.382 4.906 ( -1.393 15.675 -2.444) 15.925 4.906 ( -1.393 15.675 2.444) 15.925 4.992 ( 0.272 3.325 -3.233) 4.646 4.992 ( 0.272 3.325 3.233) 4.646 5.291 ( 0.299 19.155 -0.268) 19.159 5.291 ( 0.299 19.155 0.268) 19.159 5.419 ( -0.549 8.703 -1.600) 8.866 5.419 ( -0.549 8.703 1.600) 8.866 6.323 ( 1.896 2.370 -1.181) 3.257 6.323 ( 1.896 2.370 1.181) 3.257 6.474 ( -3.231 5.271 -2.258) 6.582 6.474 ( -3.231 5.271 2.258) 6.582 7.315 ( -0.258 -6.368 -0.394) 6.385 7.315 ( -0.258 -6.368 0.394) 6.385 7.551 ( 1.529 -8.013 -1.335) 8.266 7.551 ( 1.529 -8.013 1.335) 8.266 8.455 ( 1.316 4.424 -2.492) 5.245 8.455 ( 1.316 4.424 2.492) 5.245 8.675 ( -1.835 1.781 -3.039) 3.972 8.675 ( -1.835 1.781 3.039) 3.972 9.375 ( 7.706 -8.522 -6.390) 13.147 9.375 ( 7.706 -8.522 6.390) 13.147 9.515 ( 0.744 -2.678 -5.086) 5.796 9.515 ( 0.744 -2.678 5.086) 5.796 9.722 ( 6.436 -5.441 -1.996) 8.661 9.722 ( 6.436 -5.441 1.996) 8.661 9.966 ( 9.697 8.178 -3.705) 13.215 9.966 ( 9.697 8.178 3.705) 13.215 10.202 ( -5.650 7.074 -3.902) 9.858 10.202 ( -5.650 7.074 3.902) 9.858 10.399 ( -13.100 -3.092 -4.402) 14.161 10.399 ( -13.100 -3.092 4.402) 14.161 10.992 ( -9.180 -3.582 -1.293) 9.939 10.992 ( -9.180 -3.582 1.293) 9.939 11.276 ( 0.346 8.520 -0.484) 8.541 11.276 ( 0.346 8.520 0.484) 8.541 11.576 ( 5.909 8.379 -3.670) 10.890 11.576 ( 5.909 8.379 3.670) 10.890 11.810 ( -2.860 7.800 -0.396) 8.317 11.810 ( -2.860 7.800 0.396) 8.317 12.130 ( 2.233 7.378 -1.581) 7.869 12.130 ( 2.233 7.378 1.581) 7.869 12.374 ( 7.580 -12.355 -2.282) 14.673 12.374 ( 7.580 -12.355 2.282) 14.673 12.560 ( -9.836 -14.187 -3.212) 17.560 12.560 ( -9.836 -14.187 3.212) 17.560 12.900 ( 0.083 -13.438 -0.819) 13.463 12.900 ( 0.083 -13.438 0.819) 13.463 15.224 ( 1.208 -7.234 -1.685) 7.526 15.224 ( 1.208 -7.234 1.685) 7.526 15.482 ( -0.438 -6.445 -1.818) 6.711 15.482 ( -0.438 -6.445 1.818) 6.711 15.843 ( -0.912 -9.217 -0.980) 9.314 15.843 ( -0.912 -9.217 0.980) 9.314 16.035 ( 1.495 -12.311 -1.135) 12.453 16.035 ( 1.495 -12.311 1.135) 12.453 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 7.473 -0.956) 7.533 2.161 ( 0.000 7.473 0.956) 7.533 2.331 ( 0.000 1.434 -1.821) 2.318 2.331 ( 0.000 1.434 1.821) 2.318 2.477 ( 0.000 3.986 -4.918) 6.330 2.477 ( 0.000 3.986 4.918) 6.330 2.607 ( 0.000 2.216 -3.039) 3.761 2.607 ( 0.000 2.216 3.039) 3.761 3.090 ( 0.000 9.260 -2.856) 9.690 3.090 ( 0.000 9.260 2.856) 9.690 3.290 ( 0.000 3.974 -7.654) 8.624 3.290 ( 0.000 3.974 7.654) 8.624 3.387 ( 0.000 1.140 -8.550) 8.626 3.387 ( 0.000 1.140 8.550) 8.626 3.670 ( 0.000 0.406 -6.604) 6.617 3.670 ( 0.000 0.406 6.604) 6.617 3.747 ( 0.000 -3.876 -6.181) 7.296 3.747 ( 0.000 -3.876 6.181) 7.296 3.887 ( 0.000 2.443 -6.191) 6.656 3.887 ( 0.000 2.443 6.191) 6.656 4.100 ( 0.000 6.634 -4.395) 7.958 4.100 ( 0.000 6.634 4.395) 7.958 4.404 ( 0.000 -2.712 -5.516) 6.147 4.404 ( 0.000 -2.712 5.516) 6.147 4.514 ( 0.000 -2.905 -2.103) 3.586 4.514 ( 0.000 -2.905 2.103) 3.586 4.785 ( 0.000 3.547 -0.251) 3.556 4.785 ( 0.000 3.547 0.251) 3.556 5.181 ( 0.000 21.499 -3.203) 21.736 5.181 ( 0.000 21.499 3.203) 21.736 5.391 ( 0.000 18.873 -1.699) 18.950 5.391 ( 0.000 18.873 1.699) 18.950 5.694 ( 0.000 16.356 -3.630) 16.754 5.694 ( 0.000 16.356 3.630) 16.754 5.730 ( 0.000 17.055 -1.134) 17.092 5.730 ( 0.000 17.055 1.134) 17.092 6.354 ( 0.000 3.567 -0.349) 3.584 6.354 ( 0.000 3.567 0.349) 3.584 6.640 ( 0.000 1.573 -2.414) 2.882 6.640 ( 0.000 1.573 2.414) 2.882 7.166 ( 0.000 -9.489 -6.078) 11.268 7.166 ( 0.000 -9.489 6.078) 11.268 7.347 ( 0.000 -2.453 -4.946) 5.521 7.347 ( 0.000 -2.453 4.946) 5.521 8.504 ( 0.000 4.807 -1.834) 5.145 8.504 ( 0.000 4.807 1.834) 5.145 8.778 ( 0.000 -1.272 -2.663) 2.951 8.778 ( 0.000 -1.272 2.663) 2.951 9.002 ( 0.000 -1.477 -2.656) 3.039 9.002 ( 0.000 -1.477 2.656) 3.039 9.365 ( 0.000 1.576 -0.961) 1.846 9.365 ( 0.000 1.576 0.961) 1.846 9.417 ( 0.000 -0.642 -5.751) 5.787 9.417 ( 0.000 -0.642 5.751) 5.787 9.954 ( 0.000 6.798 -5.367) 8.662 9.954 ( 0.000 6.798 5.367) 8.662 10.455 ( 0.000 1.803 -8.693) 8.878 10.455 ( 0.000 1.803 8.693) 8.878 10.841 ( 0.000 -12.615 -5.679) 13.834 10.841 ( 0.000 -12.615 5.679) 13.834 11.134 ( 0.000 -6.939 -3.126) 7.611 11.134 ( 0.000 -6.939 3.126) 7.611 11.413 ( 0.000 -0.579 -6.141) 6.169 11.413 ( 0.000 -0.579 6.141) 6.169 11.514 ( 0.000 2.563 -4.540) 5.214 11.514 ( 0.000 2.563 4.540) 5.214 11.658 ( 0.000 4.311 -0.341) 4.325 11.658 ( 0.000 4.311 0.341) 4.325 11.994 ( 0.000 -9.367 -2.459) 9.685 11.994 ( 0.000 -9.367 2.459) 9.685 12.329 ( 0.000 0.031 -1.567) 1.567 12.329 ( 0.000 0.031 1.567) 1.567 12.545 ( 0.000 -1.395 -1.595) 2.119 12.545 ( 0.000 -1.395 1.595) 2.119 12.700 ( 0.000 -8.853 -1.624) 9.001 12.700 ( 0.000 -8.853 1.624) 9.001 15.090 ( 0.000 -1.901 -6.238) 6.521 15.090 ( 0.000 -1.901 6.238) 6.521 15.453 ( 0.000 -3.245 -6.091) 6.902 15.453 ( 0.000 -3.245 6.091) 6.902 15.574 ( 0.000 -11.677 -3.300) 12.134 15.574 ( 0.000 -11.677 3.300) 12.134 15.850 ( 0.000 -2.210 -0.803) 2.352 15.850 ( 0.000 -2.210 0.803) 2.352 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 1.933 6.950 -0.592) 7.238 2.182 ( 1.933 6.950 0.592) 7.238 2.306 ( -1.828 2.592 -2.486) 4.029 2.306 ( -1.828 2.592 2.486) 4.029 2.479 ( 0.432 3.610 -3.182) 4.831 2.479 ( 0.432 3.610 3.182) 4.831 2.625 ( 0.512 -0.824 -5.100) 5.191 2.625 ( 0.512 -0.824 5.100) 5.191 3.085 ( -1.396 8.168 -0.332) 8.293 3.085 ( -1.396 8.168 0.332) 8.293 3.235 ( -0.234 4.989 -4.830) 6.948 3.235 ( -0.234 4.989 4.830) 6.948 3.388 ( -3.830 3.925 -7.287) 9.120 3.388 ( -3.830 3.925 7.287) 9.120 3.642 ( -0.153 2.013 -3.857) 4.354 3.642 ( -0.153 2.013 3.857) 4.354 3.760 ( 0.863 -2.307 -12.328) 12.571 3.760 ( 0.863 -2.307 12.328) 12.571 3.976 ( 5.742 0.792 -5.634) 8.083 3.976 ( 5.742 0.792 5.634) 8.083 4.058 ( -2.653 3.613 -7.015) 8.325 4.058 ( -2.653 3.613 7.015) 8.325 4.376 ( -1.644 2.464 -2.300) 3.750 4.376 ( -1.644 2.464 2.300) 3.750 4.527 ( -0.264 -2.583 -2.036) 3.299 4.527 ( -0.264 -2.583 2.036) 3.299 4.792 ( 0.977 -0.722 -0.177) 1.228 4.792 ( 0.977 -0.722 0.177) 1.228 5.194 ( 1.530 21.117 -3.381) 21.441 5.194 ( 1.530 21.117 3.381) 21.441 5.379 ( -1.638 18.159 -2.313) 18.379 5.379 ( -1.638 18.159 2.313) 18.379 5.698 ( 0.627 17.222 -3.450) 17.575 5.698 ( 0.627 17.222 3.450) 17.575 5.734 ( 0.196 17.722 -1.926) 17.828 5.734 ( 0.196 17.722 1.926) 17.828 6.366 ( 1.104 3.830 -0.425) 4.009 6.366 ( 1.104 3.830 0.425) 4.009 6.613 ( -2.370 2.093 -1.965) 3.722 6.613 ( -2.370 2.093 1.965) 3.722 7.174 ( 0.756 -7.434 -4.889) 8.929 7.174 ( 0.756 -7.434 4.889) 8.929 7.367 ( 1.720 -4.516 -3.934) 6.232 7.367 ( 1.720 -4.516 3.934) 6.232 8.529 ( 2.140 5.459 -3.344) 6.750 8.529 ( 2.140 5.459 3.344) 6.750 8.766 ( -1.237 1.913 -3.681) 4.329 8.766 ( -1.237 1.913 3.681) 4.329 9.059 ( 6.517 -4.888 -3.777) 8.980 9.059 ( 6.517 -4.888 3.777) 8.980 9.390 ( 1.553 -3.167 -1.961) 4.036 9.390 ( 1.553 -3.167 1.961) 4.036 9.513 ( 8.779 1.748 -3.984) 9.797 9.513 ( 8.779 1.748 3.984) 9.797 9.970 ( 2.271 5.660 -4.788) 7.753 9.970 ( 2.271 5.660 4.788) 7.753 10.372 ( -9.581 -5.067 -8.797) 13.959 10.372 ( -9.581 -5.067 8.797) 13.959 10.656 ( -11.389 0.042 -2.769) 11.721 10.656 ( -11.389 0.042 2.769) 11.721 11.218 ( -7.237 -3.168 -3.771) 8.754 11.218 ( -7.237 -3.168 3.771) 8.754 11.267 ( -0.875 -4.782 -6.950) 8.482 11.267 ( -0.875 -4.782 6.950) 8.482 11.571 ( 4.218 -1.301 -6.304) 7.696 11.571 ( 4.218 -1.301 6.304) 7.696 11.721 ( 6.037 2.664 -5.757) 8.757 11.721 ( 6.037 2.664 5.757) 8.757 12.074 ( 5.900 -9.380 -7.726) 13.508 12.074 ( 5.900 -9.380 7.726) 13.508 12.292 ( -3.397 2.654 -2.204) 4.841 12.292 ( -3.397 2.654 2.204) 4.841 12.508 ( -3.758 -0.805 -0.530) 3.880 12.508 ( -3.758 -0.805 0.530) 3.880 12.685 ( -1.146 -9.240 -1.344) 9.407 12.685 ( -1.146 -9.240 1.344) 9.407 15.095 ( 0.524 -2.848 -4.691) 5.513 15.095 ( 0.524 -2.848 4.691) 5.513 15.390 ( -3.919 -5.873 -3.320) 7.802 15.390 ( -3.919 -5.873 3.320) 7.802 15.647 ( 4.792 -7.924 -4.828) 10.444 15.647 ( 4.792 -7.924 4.828) 10.444 15.852 ( 0.202 -2.722 -2.219) 3.517 15.852 ( 0.202 -2.722 2.219) 3.517 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 1.788 5.780 -0.921) 6.120 2.222 ( 1.788 5.780 0.921) 6.120 2.276 ( -1.336 3.769 -3.132) 5.080 2.276 ( -1.336 3.769 3.132) 5.080 2.503 ( 1.930 0.772 -1.778) 2.735 2.503 ( 1.930 0.772 1.778) 2.735 2.600 ( -2.502 -0.620 -4.379) 5.081 2.600 ( -2.502 -0.620 4.379) 5.081 3.057 ( -0.570 5.027 -1.298) 5.223 3.057 ( -0.570 5.027 1.298) 5.223 3.249 ( -2.134 5.355 -4.461) 7.289 3.249 ( -2.134 5.355 4.461) 7.289 3.357 ( 4.218 8.471 -3.960) 10.258 3.357 ( 4.218 8.471 3.960) 10.258 3.584 ( -5.175 2.959 -1.797) 6.226 3.584 ( -5.175 2.959 1.797) 6.226 3.817 ( 3.694 1.098 -9.489) 10.242 3.817 ( 3.694 1.098 9.489) 10.242 3.946 ( -3.780 0.940 -7.281) 8.257 3.946 ( -3.780 0.940 7.281) 8.257 4.137 ( 5.586 0.228 -1.646) 5.828 4.137 ( 5.586 0.228 1.646) 5.828 4.336 ( -2.806 4.309 -1.051) 5.248 4.336 ( -2.806 4.309 1.051) 5.248 4.507 ( -0.778 0.673 -1.609) 1.909 4.507 ( -0.778 0.673 1.609) 1.909 4.816 ( 0.962 -6.571 -0.254) 6.646 4.816 ( 0.962 -6.571 0.254) 6.646 5.243 ( 3.460 19.726 -3.437) 20.320 5.243 ( 3.460 19.726 3.437) 20.320 5.324 ( -3.767 18.123 -3.107) 18.770 5.324 ( -3.767 18.123 3.107) 18.770 5.717 ( 1.069 18.754 -2.936) 19.012 5.717 ( 1.069 18.754 2.936) 19.012 5.733 ( -0.343 18.253 -2.362) 18.408 5.733 ( -0.343 18.253 2.362) 18.408 6.389 ( 0.905 4.041 -0.226) 4.147 6.389 ( 0.905 4.041 0.226) 4.147 6.569 ( -1.619 3.242 -0.756) 3.702 6.569 ( -1.619 3.242 0.756) 3.702 7.188 ( 0.509 -5.273 -1.903) 5.629 7.188 ( 0.509 -5.273 1.903) 5.629 7.396 ( 0.876 -6.837 -1.543) 7.063 7.396 ( 0.876 -6.837 1.543) 7.063 8.572 ( 1.862 6.748 -3.542) 7.845 8.572 ( 1.862 6.748 3.542) 7.845 8.730 ( -1.927 3.582 -4.374) 5.973 8.730 ( -1.927 3.582 4.374) 5.973 9.236 ( 8.582 -5.036 -5.259) 11.255 9.236 ( 8.582 -5.036 5.259) 11.255 9.435 ( 3.765 -5.024 -6.498) 9.035 9.435 ( 3.765 -5.024 6.498) 9.035 9.613 ( -1.296 -4.320 -3.603) 5.773 9.613 ( -1.296 -4.320 3.603) 5.773 10.032 ( -0.717 -7.417 -1.660) 7.635 10.032 ( -0.717 -7.417 1.660) 7.635 10.217 ( 3.446 5.122 -3.532) 7.112 10.217 ( 3.446 5.122 3.532) 7.112 10.454 ( -11.598 3.758 -2.892) 12.530 10.454 ( -11.598 3.758 2.892) 12.530 11.003 ( -7.281 6.073 -1.284) 9.568 11.003 ( -7.281 6.073 1.284) 9.568 11.310 ( 1.022 -6.779 -0.997) 6.927 11.310 ( 1.022 -6.779 0.997) 6.927 11.640 ( 2.206 -4.960 -3.061) 6.232 11.640 ( 2.206 -4.960 3.061) 6.232 11.857 ( 6.154 -2.001 -3.841) 7.525 11.857 ( 6.154 -2.001 3.841) 7.525 12.120 ( -2.177 -6.608 -4.472) 8.271 12.120 ( -2.177 -6.608 4.472) 8.271 12.265 ( 1.995 1.367 -1.111) 2.661 12.265 ( 1.995 1.367 1.111) 2.661 12.419 ( -4.283 2.986 -1.853) 5.540 12.419 ( -4.283 2.986 1.853) 5.540 12.669 ( -0.445 -9.768 -0.597) 9.796 12.669 ( -0.445 -9.768 0.597) 9.796 15.105 ( 0.380 -3.994 -1.587) 4.314 15.105 ( 0.380 -3.994 1.587) 4.314 15.336 ( -1.491 -7.425 -0.930) 7.630 15.336 ( -1.491 -7.425 0.930) 7.630 15.713 ( 1.749 -3.509 -2.632) 4.722 15.713 ( 1.749 -3.509 2.632) 4.722 15.858 ( 0.346 -4.967 -1.643) 5.243 15.858 ( 0.346 -4.967 1.643) 5.243 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.000 3.250 -1.376) 3.529 2.274 ( 0.000 3.250 1.376) 3.529 2.363 ( 0.000 1.760 -3.064) 3.533 2.363 ( 0.000 1.760 3.064) 3.533 2.525 ( 0.000 1.464 -1.935) 2.426 2.525 ( 0.000 1.464 1.935) 2.426 2.626 ( 0.000 -0.415 -2.770) 2.801 2.626 ( 0.000 -0.415 2.770) 2.801 3.228 ( 0.000 3.191 -2.979) 4.366 3.228 ( 0.000 3.191 2.979) 4.366 3.392 ( 0.000 3.380 -3.909) 5.168 3.392 ( 0.000 3.380 3.909) 5.168 3.431 ( 0.000 5.476 -4.234) 6.922 3.431 ( 0.000 5.476 4.234) 6.922 3.642 ( 0.000 -2.470 -1.063) 2.689 3.642 ( 0.000 -2.470 1.063) 2.689 3.659 ( 0.000 -3.295 -4.725) 5.761 3.659 ( 0.000 -3.295 4.725) 5.761 3.967 ( 0.000 4.550 -2.801) 5.342 3.967 ( 0.000 4.550 2.801) 5.342 4.055 ( 0.000 -6.101 -0.294) 6.108 4.055 ( 0.000 -6.101 0.294) 6.108 4.355 ( 0.000 -6.436 -1.914) 6.714 4.355 ( 0.000 -6.436 1.914) 6.714 4.499 ( 0.000 3.292 -2.209) 3.964 4.499 ( 0.000 3.292 2.209) 3.964 4.863 ( 0.000 3.960 -0.052) 3.960 4.863 ( 0.000 3.960 0.052) 3.960 5.548 ( 0.000 12.659 -0.981) 12.697 5.548 ( 0.000 12.659 0.981) 12.697 5.687 ( 0.000 9.258 -1.187) 9.333 5.687 ( 0.000 9.258 1.187) 9.333 5.974 ( 0.000 10.485 -2.433) 10.764 5.974 ( 0.000 10.485 2.433) 10.764 6.026 ( 0.000 10.166 -2.025) 10.366 6.026 ( 0.000 10.166 2.025) 10.366 6.418 ( 0.000 2.450 -0.559) 2.512 6.418 ( 0.000 2.450 0.559) 2.512 6.618 ( 0.000 -3.057 -1.401) 3.363 6.618 ( 0.000 -3.057 1.401) 3.363 7.088 ( 0.000 1.647 -2.293) 2.823 7.088 ( 0.000 1.647 2.293) 2.823 7.280 ( 0.000 -4.212 -3.552) 5.510 7.280 ( 0.000 -4.212 3.552) 5.510 8.554 ( 0.000 0.336 -1.045) 1.098 8.554 ( 0.000 0.336 1.045) 1.098 8.746 ( 0.000 -1.517 -3.703) 4.002 8.746 ( 0.000 -1.517 3.703) 4.002 9.021 ( 0.000 2.915 -2.934) 4.135 9.021 ( 0.000 2.915 2.934) 4.135 9.407 ( 0.000 1.484 -3.935) 4.205 9.407 ( 0.000 1.484 3.935) 4.205 9.500 ( 0.000 8.144 -2.033) 8.394 9.500 ( 0.000 8.144 2.033) 8.394 10.051 ( 0.000 -2.700 -1.246) 2.974 10.051 ( 0.000 -2.700 1.246) 2.974 10.311 ( 0.000 -4.465 -1.297) 4.650 10.311 ( 0.000 -4.465 1.297) 4.650 10.751 ( 0.000 -1.511 -5.112) 5.331 10.751 ( 0.000 -1.511 5.112) 5.331 10.977 ( 0.000 -5.915 -3.199) 6.725 10.977 ( 0.000 -5.915 3.199) 6.725 11.278 ( 0.000 -12.858 -9.312) 15.876 11.278 ( 0.000 -12.858 9.312) 15.876 11.537 ( 0.000 3.689 -12.346) 12.885 11.537 ( 0.000 3.689 12.346) 12.885 11.764 ( 0.000 4.261 -0.728) 4.323 11.764 ( 0.000 4.261 0.728) 4.323 11.803 ( 0.000 -6.648 -7.864) 10.298 11.803 ( 0.000 -6.648 7.864) 10.298 12.312 ( 0.000 -2.870 -5.566) 6.263 12.312 ( 0.000 -2.870 5.566) 6.263 12.553 ( 0.000 -1.120 -2.022) 2.312 12.553 ( 0.000 -1.120 2.022) 2.312 12.607 ( 0.000 1.231 -0.521) 1.336 12.607 ( 0.000 1.231 0.521) 1.336 15.079 ( 0.000 0.446 -5.632) 5.649 15.079 ( 0.000 0.446 5.632) 5.649 15.328 ( 0.000 -6.608 -1.203) 6.717 15.328 ( 0.000 -6.608 1.203) 6.717 15.466 ( 0.000 -0.971 -0.910) 1.331 15.466 ( 0.000 -0.971 0.910) 1.331 15.835 ( 0.000 0.098 -0.641) 0.648 15.835 ( 0.000 0.098 0.641) 0.648 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 1.332 3.094 -1.079) 3.538 2.289 ( 1.332 3.094 1.079) 3.538 2.354 ( -0.719 2.382 -2.509) 3.533 2.354 ( -0.719 2.382 2.509) 3.533 2.514 ( -1.023 0.429 -3.020) 3.217 2.514 ( -1.023 0.429 3.020) 3.217 2.598 ( -2.382 -1.586 -4.079) 4.982 2.598 ( -2.382 -1.586 4.079) 4.982 3.207 ( -2.087 4.104 -4.088) 6.157 3.207 ( -2.087 4.104 4.088) 6.157 3.375 ( 1.444 6.953 -3.150) 7.769 3.375 ( 1.444 6.953 3.150) 7.769 3.473 ( -0.028 3.217 -3.017) 4.411 3.473 ( -0.028 3.217 3.017) 4.411 3.644 ( -0.470 -2.529 -5.913) 6.449 3.644 ( -0.470 -2.529 5.913) 6.449 3.680 ( 3.932 -1.623 -6.224) 7.539 3.680 ( 3.932 -1.623 6.224) 7.539 3.970 ( -1.365 -5.983 -7.863) 9.975 3.970 ( -1.365 -5.983 7.863) 9.975 4.045 ( 1.228 3.579 -3.402) 5.088 4.045 ( 1.228 3.579 3.402) 5.088 4.400 ( 1.827 -8.915 -1.349) 9.200 4.400 ( 1.827 -8.915 1.349) 9.200 4.487 ( 0.636 5.448 -1.250) 5.626 4.487 ( 0.636 5.448 1.250) 5.626 4.824 ( -3.821 3.150 -0.103) 4.953 4.824 ( -3.821 3.150 0.103) 4.953 5.548 ( 0.255 12.138 -1.060) 12.187 5.548 ( 0.255 12.138 1.060) 12.187 5.665 ( -2.144 9.088 -1.487) 9.455 5.665 ( -2.144 9.088 1.487) 9.455 5.992 ( 1.745 10.916 -2.147) 11.261 5.992 ( 1.745 10.916 2.147) 11.261 6.041 ( 1.155 10.558 -1.722) 10.759 6.041 ( 1.155 10.558 1.722) 10.759 6.439 ( 1.950 2.855 -0.489) 3.492 6.439 ( 1.950 2.855 0.489) 3.492 6.614 ( -0.514 -1.581 -0.922) 1.901 6.614 ( -0.514 -1.581 0.922) 1.901 7.101 ( 1.208 0.639 -2.562) 2.904 7.101 ( 1.208 0.639 2.562) 2.904 7.275 ( -0.455 -4.859 -3.483) 5.995 7.275 ( -0.455 -4.859 3.483) 5.995 8.617 ( 5.318 3.127 -1.617) 6.377 8.617 ( 5.318 3.127 1.617) 6.377 8.789 ( 4.609 -0.999 -1.924) 5.094 8.789 ( 4.609 -0.999 1.924) 5.094 9.002 ( -1.018 0.470 -3.448) 3.625 9.002 ( -1.018 0.470 3.448) 3.625 9.402 ( -0.187 3.462 -2.379) 4.205 9.402 ( -0.187 3.462 2.379) 4.205 9.561 ( 4.310 2.687 -3.156) 5.979 9.561 ( 4.310 2.687 3.156) 5.979 9.958 ( -9.581 -9.850 -2.902) 14.044 9.958 ( -9.581 -9.850 2.902) 14.044 10.286 ( -0.290 4.478 -4.677) 6.482 10.286 ( -0.290 4.478 4.677) 6.482 10.723 ( -3.481 3.309 -3.461) 5.920 10.723 ( -3.481 3.309 3.461) 5.920 10.999 ( 1.550 -12.148 -4.796) 13.152 10.999 ( 1.550 -12.148 4.796) 13.152 11.221 ( -4.834 -6.936 -8.263) 11.822 11.221 ( -4.834 -6.936 8.263) 11.822 11.490 ( -2.658 0.429 -7.472) 7.942 11.490 ( -2.658 0.429 7.472) 7.942 11.759 ( 0.381 -2.689 -4.712) 5.439 11.759 ( 0.381 -2.689 4.712) 5.439 11.924 ( 8.728 -1.552 -5.162) 10.259 11.924 ( 8.728 -1.552 5.162) 10.259 12.334 ( 1.789 -0.275 -4.375) 4.735 12.334 ( 1.789 -0.275 4.375) 4.735 12.505 ( -4.329 -2.295 -2.794) 5.641 12.505 ( -4.329 -2.295 2.794) 5.641 12.586 ( -2.096 1.056 -1.136) 2.608 12.586 ( -2.096 1.056 1.136) 2.608 15.065 ( -0.854 -0.393 -3.806) 3.921 15.065 ( -0.854 -0.393 3.806) 3.921 15.270 ( -4.230 -4.934 -1.250) 6.618 15.270 ( -4.230 -4.934 1.250) 6.618 15.556 ( 6.931 -1.769 -3.226) 7.847 15.556 ( 6.931 -1.769 3.226) 7.847 15.830 ( -0.707 -0.095 -1.138) 1.343 15.830 ( -0.707 -0.095 1.138) 1.343 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 1.321 2.972 -0.830) 3.357 2.315 ( 1.321 2.972 0.830) 3.357 2.339 ( -0.996 2.675 -1.955) 3.460 2.339 ( -0.996 2.675 1.955) 3.460 2.493 ( -0.795 -0.853 -2.599) 2.849 2.493 ( -0.795 -0.853 2.599) 2.849 2.562 ( -1.025 -2.667 -2.200) 3.606 2.562 ( -1.025 -2.667 2.200) 3.606 3.171 ( -1.152 6.308 -1.920) 6.693 3.171 ( -1.152 6.308 1.920) 6.693 3.388 ( -0.830 7.338 -1.108) 7.468 3.388 ( -0.830 7.338 1.108) 7.468 3.496 ( 3.301 -1.571 -1.483) 3.945 3.496 ( 3.301 -1.571 1.483) 3.945 3.614 ( -2.348 5.677 -2.307) 6.562 3.614 ( -2.348 5.677 2.307) 6.562 3.759 ( 2.480 -5.426 -4.327) 7.370 3.759 ( 2.480 -5.426 4.327) 7.370 3.932 ( -1.369 -0.667 -5.442) 5.651 3.932 ( -1.369 -0.667 5.442) 5.651 4.106 ( 3.598 -1.290 -1.736) 4.199 4.106 ( 3.598 -1.290 1.736) 4.199 4.355 ( -3.697 -4.772 -2.411) 6.500 4.355 ( -3.697 -4.772 2.411) 6.500 4.568 ( 5.004 4.259 -0.455) 6.586 4.568 ( 5.004 4.259 0.455) 6.586 4.736 ( -4.390 -0.115 -0.109) 4.393 4.736 ( -4.390 -0.115 0.109) 4.393 5.566 ( 1.679 10.901 -1.237) 11.099 5.566 ( 1.679 10.901 1.237) 11.099 5.615 ( -2.730 9.567 -1.480) 10.058 5.615 ( -2.730 9.567 1.480) 10.058 6.027 ( 1.374 11.278 -1.262) 11.431 6.027 ( 1.374 11.278 1.262) 11.431 6.057 ( 0.274 11.163 -1.006) 11.212 6.057 ( 0.274 11.163 1.006) 11.212 6.479 ( 1.680 4.194 -0.268) 4.525 6.479 ( 1.680 4.194 0.268) 4.525 6.598 ( -0.874 -0.207 -0.221) 0.925 6.598 ( -0.874 -0.207 0.221) 0.925 7.123 ( 0.750 -0.678 -1.517) 1.822 7.123 ( 0.750 -0.678 1.517) 1.822 7.267 ( -0.229 -5.752 -1.823) 6.038 7.267 ( -0.229 -5.752 1.823) 6.038 8.717 ( 4.722 6.799 -3.544) 9.004 8.717 ( 4.722 6.799 3.544) 9.004 8.824 ( -2.914 5.342 -4.197) 7.392 8.824 ( -2.914 5.342 4.197) 7.392 9.113 ( 13.617 -7.401 -1.597) 15.581 9.113 ( 13.617 -7.401 1.597) 15.581 9.381 ( -4.424 -0.121 -5.234) 6.855 9.381 ( -4.424 -0.121 5.234) 6.855 9.522 ( -8.474 -3.451 -7.054) 11.553 9.522 ( -8.474 -3.451 7.054) 11.553 9.826 ( -0.741 -10.712 -0.137) 10.739 9.826 ( -0.741 -10.712 0.137) 10.739 10.330 ( 3.695 7.156 -3.411) 8.746 10.330 ( 3.695 7.156 3.411) 8.746 10.617 ( -5.941 11.781 -3.137) 13.562 10.617 ( -5.941 11.781 3.137) 13.562 11.021 ( 0.651 -17.972 -3.160) 18.260 11.021 ( 0.651 -17.972 3.160) 18.260 11.147 ( -2.037 1.498 -3.552) 4.360 11.147 ( -2.037 1.498 3.552) 4.360 11.460 ( -0.658 -4.993 -2.814) 5.769 11.460 ( -0.658 -4.993 2.814) 5.769 11.765 ( 0.126 -7.077 -2.306) 7.444 11.765 ( 0.126 -7.077 2.306) 7.444 12.083 ( 6.638 2.333 -2.160) 7.360 12.083 ( 6.638 2.333 2.160) 7.360 12.324 ( -3.754 1.552 -1.285) 4.260 12.324 ( -3.754 1.552 1.285) 4.260 12.463 ( 1.816 -2.096 -5.014) 5.730 12.463 ( 1.816 -2.096 5.014) 5.730 12.530 ( -3.412 -0.761 -2.490) 4.292 12.530 ( -3.412 -0.761 2.490) 4.292 15.061 ( 0.365 -0.458 -1.245) 1.375 15.061 ( 0.365 -0.458 1.245) 1.375 15.197 ( -2.585 -5.492 -0.288) 6.077 15.197 ( -2.585 -5.492 0.288) 6.077 15.682 ( 5.146 -0.143 -2.198) 5.598 15.682 ( 5.146 -0.143 2.198) 5.598 15.801 ( -2.217 -1.342 -1.431) 2.961 15.801 ( -2.217 -1.342 1.431) 2.961 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 0.000 0.000 -0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.387 ( 0.000 0.000 -0.000) 0.000 2.387 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 -0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 -0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 -0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 -0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 -0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 -0.000 -0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 -0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 -0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 -0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 -0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 -0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 -0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 -0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 -0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 -0.000) 0.000 6.128 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 -0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 -0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 -0.000 -0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 -0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 8.727 ( 0.000 0.000 -0.000) 0.000 8.727 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 -0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 -0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 -0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.911 ( 0.000 0.000 -0.000) 0.000 9.911 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 0.000 -0.000) 0.000 10.362 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 -0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 10.956 ( 0.000 -0.000 -0.000) 0.000 10.956 ( 0.000 -0.000 0.000) 0.000 11.079 ( 0.000 0.000 -0.000) 0.000 11.079 ( 0.000 0.000 0.000) 0.000 11.661 ( 0.000 0.000 -0.000) 0.000 11.661 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 -0.000 -0.000) 0.000 11.669 ( 0.000 -0.000 0.000) 0.000 11.810 ( 0.000 0.000 -0.000) 0.000 11.810 ( 0.000 0.000 0.000) 0.000 12.267 ( 0.000 0.000 -0.000) 0.000 12.267 ( 0.000 0.000 0.000) 0.000 12.548 ( 0.000 0.000 -0.000) 0.000 12.548 ( 0.000 0.000 0.000) 0.000 12.627 ( 0.000 0.000 -0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 15.088 ( 0.000 0.000 -0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 15.254 ( 0.000 0.000 -0.000) 0.000 15.254 ( 0.000 0.000 0.000) 0.000 15.460 ( 0.000 0.000 -0.000) 0.000 15.460 ( 0.000 0.000 0.000) 0.000 15.838 ( 0.000 0.000 -0.000) 0.000 15.838 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 1.242 0.000 -0.000) 1.242 2.316 ( 1.242 0.000 0.000) 1.242 2.387 ( -0.144 0.000 -0.000) 0.144 2.387 ( -0.144 0.000 0.000) 0.144 2.517 ( -2.136 0.000 -0.000) 2.136 2.517 ( -2.136 0.000 0.000) 2.136 2.576 ( -3.277 0.000 -0.000) 3.277 2.576 ( -3.277 0.000 0.000) 3.277 3.257 ( 1.007 0.000 -0.000) 1.007 3.257 ( 1.007 0.000 0.000) 1.007 3.461 ( 2.213 0.000 -0.000) 2.213 3.461 ( 2.213 0.000 0.000) 2.213 3.487 ( -5.037 0.000 -0.000) 5.037 3.487 ( -5.037 0.000 0.000) 5.037 3.590 ( 4.618 0.000 -0.000) 4.618 3.590 ( 4.618 0.000 0.000) 4.618 3.733 ( 5.500 0.000 -0.000) 5.500 3.733 ( 5.500 0.000 0.000) 5.500 3.841 ( -5.321 0.000 -0.000) 5.321 3.841 ( -5.321 0.000 0.000) 5.321 4.175 ( 4.170 0.000 -0.000) 4.170 4.175 ( 4.170 0.000 0.000) 4.170 4.223 ( -0.830 -0.000 -0.000) 0.830 4.223 ( -0.830 -0.000 0.000) 0.830 4.547 ( 1.145 0.000 -0.000) 1.145 4.547 ( 1.145 0.000 0.000) 1.145 4.864 ( -4.548 0.000 -0.000) 4.548 4.864 ( -4.548 0.000 0.000) 4.548 5.676 ( -0.274 0.000 -0.000) 0.274 5.676 ( -0.274 0.000 0.000) 0.274 5.756 ( -2.040 0.000 -0.000) 2.040 5.756 ( -2.040 0.000 0.000) 2.040 6.116 ( 1.957 0.000 -0.000) 1.957 6.116 ( 1.957 0.000 0.000) 1.957 6.147 ( 1.555 0.000 -0.000) 1.555 6.147 ( 1.555 0.000 0.000) 1.555 6.470 ( 2.424 0.000 -0.000) 2.424 6.470 ( 2.424 0.000 0.000) 2.424 6.590 ( 0.963 0.000 -0.000) 0.963 6.590 ( 0.963 0.000 0.000) 0.963 7.165 ( 0.057 -0.000 -0.000) 0.057 7.165 ( 0.057 -0.000 0.000) 0.057 7.172 ( -1.086 0.000 -0.000) 1.086 7.172 ( -1.086 0.000 0.000) 1.086 8.660 ( 10.795 0.000 -0.000) 10.795 8.660 ( 10.795 0.000 0.000) 10.795 8.751 ( 2.451 0.000 -0.000) 2.451 8.751 ( 2.451 0.000 0.000) 2.451 9.033 ( -3.314 0.000 -0.000) 3.314 9.033 ( -3.314 0.000 0.000) 3.314 9.448 ( 1.592 0.000 -0.000) 1.592 9.448 ( 1.592 0.000 0.000) 1.592 9.633 ( -0.302 0.000 -0.000) 0.302 9.633 ( -0.302 0.000 0.000) 0.302 9.771 ( -12.938 0.000 -0.000) 12.938 9.771 ( -12.938 0.000 0.000) 12.938 10.416 ( 5.208 0.000 -0.000) 5.208 10.416 ( 5.208 0.000 0.000) 5.208 10.682 ( -0.738 0.000 -0.000) 0.738 10.682 ( -0.738 0.000 0.000) 0.738 10.944 ( -0.867 -0.000 -0.000) 0.867 10.944 ( -0.867 -0.000 0.000) 0.867 11.038 ( -3.731 0.000 -0.000) 3.731 11.038 ( -3.731 0.000 0.000) 3.731 11.608 ( -3.457 -0.000 -0.000) 3.457 11.608 ( -3.457 -0.000 0.000) 3.457 11.637 ( -2.276 0.000 -0.000) 2.276 11.637 ( -2.276 0.000 0.000) 2.276 11.931 ( 9.404 0.000 -0.000) 9.404 11.931 ( 9.404 0.000 0.000) 9.404 12.310 ( 3.783 0.000 -0.000) 3.783 12.310 ( 3.783 0.000 0.000) 3.783 12.493 ( -5.190 0.000 -0.000) 5.190 12.493 ( -5.190 0.000 0.000) 5.190 12.603 ( -2.391 0.000 -0.000) 2.391 12.603 ( -2.391 0.000 0.000) 2.391 15.064 ( -1.368 0.000 -0.000) 1.368 15.064 ( -1.368 0.000 0.000) 1.368 15.215 ( -3.740 0.000 -0.000) 3.740 15.215 ( -3.740 0.000 0.000) 3.740 15.542 ( 7.097 0.000 -0.000) 7.097 15.542 ( 7.097 0.000 0.000) 7.097 15.831 ( -0.981 0.000 -0.000) 0.981 15.831 ( -0.981 0.000 0.000) 0.981 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 1.502 0.000 -0.000) 1.502 2.344 ( 1.502 0.000 0.000) 1.502 2.373 ( -1.343 0.000 -0.000) 1.343 2.373 ( -1.343 0.000 0.000) 1.343 2.492 ( -0.007 0.000 -0.000) 0.007 2.492 ( -0.007 0.000 0.000) 0.007 2.516 ( -2.379 0.000 -0.000) 2.379 2.516 ( -2.379 0.000 0.000) 2.379 3.294 ( 2.814 0.000 -0.000) 2.814 3.294 ( 2.814 0.000 0.000) 2.814 3.368 ( -4.945 0.000 -0.000) 4.945 3.368 ( -4.945 0.000 0.000) 4.945 3.543 ( 3.885 -0.000 -0.000) 3.885 3.543 ( 3.885 0.000 0.000) 3.885 3.612 ( -2.755 0.000 -0.000) 2.755 3.612 ( -2.755 0.000 0.000) 2.755 3.821 ( 2.315 -0.001 -0.000) 2.315 3.821 ( 2.315 -0.001 0.000) 2.315 3.822 ( 3.011 0.001 -0.000) 3.011 3.822 ( 3.011 0.001 0.000) 3.011 4.198 ( -0.896 0.002 -0.000) 0.896 4.198 ( -0.896 0.002 0.000) 0.896 4.198 ( -1.287 -0.003 -0.000) 1.287 4.198 ( -1.287 -0.002 0.000) 1.287 4.619 ( 6.051 0.000 -0.000) 6.051 4.619 ( 6.051 0.000 0.000) 6.051 4.750 ( -6.817 0.000 -0.000) 6.817 4.750 ( -6.817 0.000 0.000) 6.817 5.681 ( 0.950 0.000 -0.000) 0.950 5.681 ( 0.950 0.000 0.000) 0.950 5.712 ( -2.170 0.000 -0.000) 2.170 5.712 ( -2.170 0.000 0.000) 2.170 6.155 ( 1.632 0.000 -0.000) 1.632 6.155 ( 1.632 0.000 0.000) 1.632 6.168 ( 0.309 0.000 -0.000) 0.309 6.168 ( 0.309 0.000 0.000) 0.309 6.531 ( 3.557 0.000 -0.000) 3.557 6.531 ( 3.557 0.000 0.000) 3.557 6.587 ( -1.708 0.000 0.000) 1.708 6.587 ( -1.708 0.000 0.000) 1.708 7.160 ( -0.091 0.000 -0.000) 0.091 7.160 ( -0.091 0.000 0.000) 0.091 7.164 ( -0.267 -0.000 0.000) 0.267 7.164 ( -0.267 -0.000 0.000) 0.267 8.820 ( 4.481 0.000 -0.000) 4.481 8.820 ( 4.481 0.000 0.000) 4.481 8.886 ( 3.000 0.000 -0.000) 3.000 8.886 ( 3.000 0.000 0.000) 3.000 9.010 ( 10.175 0.000 -0.000) 10.175 9.010 ( 10.175 0.000 0.000) 10.175 9.344 ( -16.560 0.000 -0.000) 16.560 9.344 ( -16.560 0.000 0.000) 16.560 9.593 ( -0.414 -0.000 -0.000) 0.414 9.593 ( -0.414 -0.000 0.000) 0.414 9.619 ( -1.315 0.000 0.000) 1.315 9.619 ( -1.315 0.000 -0.000) 1.315 10.536 ( 6.413 0.000 0.000) 6.413 10.536 ( 6.413 0.000 0.000) 6.413 10.639 ( -3.907 0.000 -0.000) 3.907 10.639 ( -3.907 0.000 0.000) 3.907 10.936 ( 0.309 0.000 -0.000) 0.309 10.936 ( 0.309 0.000 0.000) 0.309 10.966 ( -2.966 -0.000 -0.000) 2.966 10.966 ( -2.966 -0.000 0.000) 2.966 11.569 ( -0.484 -0.000 -0.000) 0.484 11.569 ( -0.484 -0.000 0.000) 0.484 11.588 ( -2.246 0.000 -0.000) 2.246 11.588 ( -2.246 0.000 0.000) 2.246 12.126 ( 10.255 0.000 -0.000) 10.255 12.126 ( 10.255 0.000 0.000) 10.255 12.307 ( -7.340 0.000 -0.000) 7.340 12.307 ( -7.340 0.000 0.000) 7.340 12.448 ( 3.706 0.000 -0.000) 3.706 12.448 ( 3.706 0.000 0.000) 3.706 12.537 ( -4.372 0.000 -0.000) 4.372 12.537 ( -4.372 0.000 0.000) 4.372 15.067 ( 1.889 0.000 -0.000) 1.889 15.067 ( 1.889 0.000 0.000) 1.889 15.131 ( -4.358 0.000 -0.000) 4.358 15.131 ( -4.358 0.000 0.000) 4.358 15.684 ( 6.847 0.000 -0.000) 6.847 15.684 ( 6.847 0.000 0.000) 6.847 15.788 ( -3.751 0.000 -0.000) 3.751 15.788 ( -3.751 0.000 0.000) 3.751 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/23520 10.0 3832.507 3286.810 2569.200 0.000 0.000 0.000 3/23520 20.0 457.078 591.248 406.197 0.000 0.000 0.000 3/23520 30.0 150.320 242.515 136.755 0.000 0.000 0.000 3/23520 40.0 76.982 144.217 71.815 0.000 0.000 0.000 3/23520 50.0 48.627 99.790 46.265 0.000 0.000 0.000 3/23520 60.0 34.327 74.312 33.142 0.000 0.000 0.000 3/23520 70.0 25.925 57.885 25.299 0.000 0.000 0.000 3/23520 80.0 20.506 46.599 20.163 0.000 0.000 0.000 3/23520 90.0 16.787 38.520 16.592 0.000 0.000 0.000 3/23520 100.0 14.117 32.554 13.997 0.000 0.000 0.000 3/23520 110.0 12.129 28.031 12.049 0.000 0.000 0.000 3/23520 120.0 10.606 24.523 10.544 0.000 0.000 0.000 3/23520 130.0 9.409 21.746 9.356 0.000 0.000 0.000 3/23520 140.0 8.448 19.506 8.398 0.000 0.000 0.000 3/23520 150.0 7.663 17.671 7.613 0.000 0.000 0.000 3/23520 160.0 7.010 16.145 6.960 0.000 0.000 0.000 3/23520 170.0 6.460 14.859 6.408 0.000 0.000 0.000 3/23520 180.0 5.991 13.762 5.938 0.000 0.000 0.000 3/23520 190.0 5.586 12.818 5.532 0.000 0.000 0.000 3/23520 200.0 5.234 11.996 5.178 0.000 0.000 0.000 3/23520 210.0 4.924 11.275 4.868 0.000 0.000 0.000 3/23520 220.0 4.650 10.638 4.593 0.000 0.000 0.000 3/23520 230.0 4.405 10.070 4.348 0.000 0.000 0.000 3/23520 240.0 4.186 9.562 4.129 0.000 0.000 0.000 3/23520 250.0 3.988 9.104 3.931 0.000 0.000 0.000 3/23520 260.0 3.809 8.689 3.752 0.000 0.000 0.000 3/23520 270.0 3.646 8.312 3.589 0.000 0.000 0.000 3/23520 280.0 3.496 7.967 3.440 0.000 0.000 0.000 3/23520 290.0 3.359 7.650 3.303 0.000 0.000 0.000 3/23520 300.0 3.232 7.359 3.177 0.000 0.000 0.000 3/23520 310.0 3.115 7.089 3.061 0.000 0.000 0.000 3/23520 320.0 3.006 6.840 2.952 0.000 0.000 0.000 3/23520 330.0 2.905 6.607 2.852 0.000 0.000 0.000 3/23520 340.0 2.811 6.391 2.758 0.000 0.000 0.000 3/23520 350.0 2.722 6.189 2.671 0.000 0.000 0.000 3/23520 360.0 2.640 5.999 2.589 0.000 0.000 0.000 3/23520 370.0 2.562 5.821 2.512 0.000 0.000 0.000 3/23520 380.0 2.489 5.654 2.440 0.000 0.000 0.000 3/23520 390.0 2.420 5.496 2.371 0.000 0.000 0.000 3/23520 400.0 2.355 5.347 2.307 0.000 0.000 0.000 3/23520 410.0 2.293 5.207 2.246 0.000 0.000 0.000 3/23520 420.0 2.235 5.073 2.188 0.000 0.000 0.000 3/23520 430.0 2.179 4.947 2.134 0.000 0.000 0.000 3/23520 440.0 2.126 4.826 2.082 0.000 0.000 0.000 3/23520 450.0 2.076 4.712 2.032 0.000 0.000 0.000 3/23520 460.0 2.029 4.603 1.985 0.000 0.000 0.000 3/23520 470.0 1.983 4.499 1.940 0.000 0.000 0.000 3/23520 480.0 1.939 4.400 1.897 0.000 0.000 0.000 3/23520 490.0 1.898 4.305 1.856 0.000 0.000 0.000 3/23520 500.0 1.858 4.214 1.817 0.000 0.000 0.000 3/23520 510.0 1.820 4.127 1.780 0.000 0.000 0.000 3/23520 520.0 1.783 4.044 1.743 0.000 0.000 0.000 3/23520 530.0 1.748 3.964 1.709 0.000 0.000 0.000 3/23520 540.0 1.714 3.887 1.676 0.000 0.000 0.000 3/23520 550.0 1.682 3.813 1.644 0.000 0.000 0.000 3/23520 560.0 1.651 3.742 1.613 0.000 0.000 0.000 3/23520 570.0 1.620 3.674 1.584 0.000 0.000 0.000 3/23520 580.0 1.591 3.608 1.555 0.000 0.000 0.000 3/23520 590.0 1.564 3.544 1.528 0.000 0.000 0.000 3/23520 600.0 1.537 3.483 1.501 0.000 0.000 0.000 3/23520 610.0 1.511 3.424 1.476 0.000 0.000 0.000 3/23520 620.0 1.485 3.367 1.451 0.000 0.000 0.000 3/23520 630.0 1.461 3.312 1.427 0.000 0.000 0.000 3/23520 640.0 1.437 3.258 1.404 0.000 0.000 0.000 3/23520 650.0 1.415 3.206 1.382 0.000 0.000 0.000 3/23520 660.0 1.393 3.156 1.360 0.000 0.000 0.000 3/23520 670.0 1.371 3.108 1.339 0.000 0.000 0.000 3/23520 680.0 1.351 3.061 1.319 0.000 0.000 0.000 3/23520 690.0 1.330 3.015 1.299 0.000 0.000 0.000 3/23520 700.0 1.311 2.971 1.280 0.000 0.000 0.000 3/23520 710.0 1.292 2.928 1.261 0.000 0.000 0.000 3/23520 720.0 1.274 2.886 1.243 0.000 0.000 0.000 3/23520 730.0 1.256 2.846 1.226 0.000 0.000 0.000 3/23520 740.0 1.238 2.806 1.209 0.000 0.000 0.000 3/23520 750.0 1.222 2.768 1.192 0.000 0.000 0.000 3/23520 760.0 1.205 2.731 1.176 0.000 0.000 0.000 3/23520 770.0 1.189 2.694 1.161 0.000 0.000 0.000 3/23520 780.0 1.174 2.659 1.145 0.000 0.000 0.000 3/23520 790.0 1.158 2.625 1.131 0.000 0.000 0.000 3/23520 800.0 1.144 2.591 1.116 0.000 0.000 0.000 3/23520 810.0 1.129 2.558 1.102 0.000 0.000 0.000 3/23520 820.0 1.115 2.527 1.088 0.000 0.000 0.000 3/23520 830.0 1.102 2.496 1.075 0.000 0.000 0.000 3/23520 840.0 1.088 2.465 1.062 0.000 0.000 0.000 3/23520 850.0 1.075 2.436 1.049 0.000 0.000 0.000 3/23520 860.0 1.062 2.407 1.037 0.000 0.000 0.000 3/23520 870.0 1.050 2.379 1.025 0.000 0.000 0.000 3/23520 880.0 1.038 2.351 1.013 0.000 0.000 0.000 3/23520 890.0 1.026 2.324 1.001 0.000 0.000 0.000 3/23520 900.0 1.015 2.298 0.990 0.000 0.000 0.000 3/23520 910.0 1.003 2.272 0.979 0.000 0.000 0.000 3/23520 920.0 0.992 2.247 0.968 0.000 0.000 0.000 3/23520 930.0 0.981 2.223 0.957 0.000 0.000 0.000 3/23520 940.0 0.971 2.199 0.947 0.000 0.000 0.000 3/23520 950.0 0.960 2.175 0.937 0.000 0.000 0.000 3/23520 960.0 0.950 2.152 0.927 0.000 0.000 0.000 3/23520 970.0 0.940 2.130 0.917 0.000 0.000 0.000 3/23520 980.0 0.931 2.108 0.908 0.000 0.000 0.000 3/23520 990.0 0.921 2.086 0.898 0.000 0.000 0.000 3/23520 1000.0 0.912 2.065 0.889 0.000 0.000 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:23:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|